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
4
Annotation Hits

187
References

3922
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 169.8
[M+Na]+ 956.17262 169.8
[M+NH4]+ 951.21722 169.8
[M+K]+ 972.14656 169.8
[M-H]- 932.17612 169.8
[M+Na-2H]- 954.15807 169.8
[M]+ 933.18285 169.8
[M]- 933.18395 169.8
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