CID 117090

Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester

Structural Information

Molecular Formula
C13H2Br8O3
SMILES
C1=C(C=C(C(=C1Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C13H2Br8O3/c14-3-1-4(15)11(5(16)2-3)23-13(22)24-12-9(20)7(18)6(17)8(19)10(12)21/h1-2H
InChIKey
UIDCTFWJUOHXHX-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentabromophenyl) (2,4,6-tribromophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

837.3471 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 838.35438 175.2
[M+Na]+ 860.33632 185.5
[M-H]- 836.33982 178.8
[M+NH4]+ 855.38092 179.1
[M+K]+ 876.31026 177.1
[M+H-H2O]+ 820.34436 181.3
[M+HCOO]- 882.34530 177.4
[M+CH3COO]- 896.36095 254.1
[M+Na-2H]- 858.32177 172.9
[M]+ 837.34655 182.6
[M]- 837.34765 182.6
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

patents stripe