PubChemLite - Carbonic acid, c,c'-((1-methylethylidene)bis(2,6-dibromo-4,1-phenylene)) c,c'-bis(2,4,6-tribromophenyl) ester (C29H14Br10O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OC(=O)OC2=C(C=C(C=C2Br)Br)Br)Br)C3=CC(=C(C(=C3)Br)OC(=O)OC4=C(C=C(C=C4Br)Br)Br)Br

InChI

InChI=1S/C29H14Br10O6/c1-29(2,11-3-15(32)23(16(33)4-11)42-27(40)44-25-19(36)7-13(30)8-20(25)37)12-5-17(34)24(18(35)6-12)43-28(41)45-26-21(38)9-14(31)10-22(26)39/h3-10H,1-2H3

InChIKey

XDZIBFQEYRXSBD-UHFFFAOYSA-N

Compound name

[2,6-dibromo-4-[2-[3,5-dibromo-4-(2,4,6-tribromophenoxy)carbonyloxyphenyl]propan-2-yl]phenyl] (2,4,6-tribromophenyl) carbonate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1248.2698	141.0
[M+Na]+	1270.2517	145.9
[M-H]-	1246.2552	142.7
[M+NH4]+	1265.2963	142.6
[M+K]+	1286.2257	142.1
[M+H-H2O]+	1230.2598	142.7
[M+HCOO]-	1292.2607	142.0
[M+CH3COO]-	1306.2764	254.3
[M+Na-2H]-	1268.2372	139.9
[M]+	1247.2620	142.9
[M]-	1247.2630	142.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1248.2698

141.0

[M+Na]+

1270.2517

145.9

[M-H]-

1246.2552

142.7

[M+NH4]+

1265.2963

142.6

[M+K]+

1286.2257

142.1

[M+H-H2O]+

1230.2598

142.7

[M+HCOO]-

1292.2607

142.0

[M+CH3COO]-

1306.2764

254.3

[M+Na-2H]-

1268.2372

139.9

[M]+

1247.2620

142.9

[M]-

1247.2630

142.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Carbonic acid, c,c'-((1-methylethylidene)bis(2,6-dibromo-4,1-phenylene)) c,c'-bis(2,4,6-tribromophenyl) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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