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

486
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

literature stripe

Patent stripe

patents stripe