CID 117089

Carbonic acid, c,c'-((1-methylethylidene)bis(2,6-dibromo-4,1-phenylene)) c,c'-bis(2,3,4,5,6-pentabromophenyl) ester

Structural Information

Molecular Formula
C29H10Br14O6
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)C3=CC(=C(C(=C3)Br)OC(=O)OC4=C(C(=C(C(=C4Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C29H10Br14O6/c1-29(2,7-3-9(30)23(10(31)4-7)46-27(44)48-25-19(40)15(36)13(34)16(37)20(25)41)8-5-11(32)24(12(33)6-8)47-28(45)49-26-21(42)17(38)14(35)18(39)22(26)43/h3-6H,1-2H3
InChIKey
NUMCIRUBNXCHTA-UHFFFAOYSA-N
Compound name
[2,6-dibromo-4-[2-[3,5-dibromo-4-(2,3,4,5,6-pentabromophenoxy)carbonyloxyphenyl]propan-2-yl]phenyl] (2,3,4,5,6-pentabromophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1558.9045 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1559.9118 113.7
[M+Na]+ 1581.8937 113.9
[M-H]- 1557.8972 113.8
[M+NH4]+ 1576.9383 113.8
[M+K]+ 1597.8677 113.8
[M+H-H2O]+ 1541.9018 113.8
[M+HCOO]- 1603.9027 113.8
[M+CH3COO]- 1617.9184 254.2
[M+Na-2H]- 1579.8792 113.7
[M]+ 1558.9040 113.8
[M]- 1558.9050 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.