CID 72868

4,4'-dibromobenzophenone

Structural Information

Molecular Formula
C13H8Br2O
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-N
Compound name
bis(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1423
Patents

337.8942 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.90148 151.4
[M+Na]+ 360.88342 161.7
[M-H]- 336.88692 160.6
[M+NH4]+ 355.92802 169.1
[M+K]+ 376.85736 146.6
[M+H-H2O]+ 320.89146 159.5
[M+HCOO]- 382.89240 167.6
[M+CH3COO]- 396.90805 208.9
[M+Na-2H]- 358.86887 157.8
[M]+ 337.89365 185.1
[M]- 337.89475 185.1
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