CID 26164

Decabromobiphenyl

Structural Information

Molecular Formula
C12Br10
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChIKey
AQPHBYQUCKHJLT-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

187
References

4434
Patents

933.1834 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 934.19068 141.1
[M+Na]+ 956.17262 146.3
[M-H]- 932.17612 142.9
[M+NH4]+ 951.21722 142.9
[M+K]+ 972.14656 142.3
[M+H-H2O]+ 916.18066 142.9
[M+HCOO]- 978.18160 142.2
[M+CH3COO]- 992.19725 141.5
[M+Na-2H]- 954.15807 140.1
[M]+ 933.18285 143.1
[M]- 933.18395 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe