CID 70548

3-bromobenzophenone

Structural Information

Molecular Formula
C13H9BrO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
XNUMUNIJQMSNNN-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

259.98367 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99095 148.9
[M+Na]+ 282.97289 159.7
[M-H]- 258.97639 158.1
[M+NH4]+ 278.01749 169.0
[M+K]+ 298.94683 148.3
[M+H-H2O]+ 242.98093 148.6
[M+HCOO]- 304.98187 170.5
[M+CH3COO]- 318.99752 192.1
[M+Na-2H]- 280.95834 156.4
[M]+ 259.98312 166.8
[M]- 259.98422 166.8
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