CID 189658

2,2',3,3',5,5',6-heptabromobiphenyl

Structural Information

Molecular Formula
C12H3Br7
SMILES
C1=C(C=C(C(=C1C2=C(C(=CC(=C2Br)Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H3Br7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H
InChIKey
DIMYEFPFSWJMHA-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrabromo-3-(2,3,5-tribromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

699.45184 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 700.45912 183.0
[M+Na]+ 722.44106 193.9
[M-H]- 698.44456 187.1
[M+NH4]+ 717.48566 187.9
[M+K]+ 738.41500 184.2
[M+H-H2O]+ 682.44910 192.9
[M+HCOO]- 744.45004 185.5
[M+CH3COO]- 758.46569 184.8
[M+Na-2H]- 720.42651 180.7
[M]+ 699.45129 196.0
[M]- 699.45239 196.0
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

No patent data available for this compound.