CID 96430

4,4'-dibromobenzil

Structural Information

Molecular Formula
C14H8Br2O2
SMILES
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
NYCBYBDDECLFPE-UHFFFAOYSA-N
Compound name
1,2-bis(4-bromophenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

502
Patents

365.8891 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.89638 157.1
[M+Na]+ 388.87832 166.7
[M-H]- 364.88182 166.1
[M+NH4]+ 383.92292 173.6
[M+K]+ 404.85226 151.7
[M+H-H2O]+ 348.88636 164.7
[M+HCOO]- 410.88730 172.4
[M+CH3COO]- 424.90295 212.7
[M+Na-2H]- 386.86377 162.0
[M]+ 365.88855 191.1
[M]- 365.88965 191.1
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.