CID 38385

40088-45-7

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.