CID 10449890

2,2'-dibromobenzophenone

Structural Information

Molecular Formula
C13H8Br2O
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Br)Br
InChI
InChI=1S/C13H8Br2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
InChIKey
JCVYQVHAGOZGIX-UHFFFAOYSA-N
Compound name
bis(2-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

337.8942 Da
Monoisotopic Mass

4.6
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