CID 176603

97038-96-5

Structural Information

Molecular Formula
C12H6Br4
SMILES
C1=CC(=C(C(=C1)Br)C2=C(C=CC=C2Br)Br)Br
InChI
InChI=1S/C12H6Br4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKey
RAIZQBVLCDNAOH-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(2,6-dibromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

50
Patents

465.7203 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.727576 154.0
[M+Na]+ 488.709518 160.2
[M-H]- 464.713024 159.2
[M+NH4]+ 483.754123 164.1
[M+K]+ 504.683458 147.8
[M+H-H2O]+ 448.717560 172.6
[M+HCOO]- 510.718501 160.0
[M+CH3COO]- 524.734151 161.7
[M+Na-2H]- 486.694966 156.6
[M]+ 465.71975142 192.6
[M]- 465.72084858 192.6
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