PubChemLite - Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]- (C31H22Br10O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)C3=CC(=C(C(=C3)Br)OCCOC4=C(C=C(C=C4Br)Br)Br)Br

InChI

InChI=1S/C31H22Br10O4/c1-31(2,15-7-19(34)27(20(35)8-15)42-3-5-44-29-23(38)11-17(32)12-24(29)39)16-9-21(36)28(22(37)10-16)43-4-6-45-30-25(40)13-18(33)14-26(30)41/h7-14H,3-6H2,1-2H3

InChIKey

XDDZQNKKDAKUBQ-UHFFFAOYSA-N

Compound name

1,3,5-tribromo-2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]benzene

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]+	1248.3425	140.9
[M+Na]+	1270.3244	145.9
[M-H]-	1246.3279	142.7
[M+NH4]+	1265.3690	142.6
[M+K]+	1286.2984	142.1
[M+H-H2O]+	1230.3325	142.6
[M+HCOO]-	1292.3334	141.9
[M+CH3COO]-	1306.3491	254.3
[M+Na-2H]-	1268.3099	139.8
[M]+	1247.3347	142.8
[M]-	1247.3357	142.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1248.3425

140.9

[M+Na]+

1270.3244

145.9

[M-H]-

1246.3279

142.7

[M+NH4]+

1265.3690

142.6

[M+K]+

1286.2984

142.1

[M+H-H2O]+

1230.3325

142.6

[M+HCOO]-

1292.3334

141.9

[M+CH3COO]-

1306.3491

254.3

[M+Na-2H]-

1268.3099

139.8

[M]+

1247.3347

142.8

[M]-

1247.3357

142.8

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

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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