CID 7030

4-bromobenzophenone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

4
References

4220
Patents

259.98367 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99095 145.3
[M+Na]+ 282.97289 151.2
[M+NH4]+ 278.01749 151.3
[M+K]+ 298.94683 149.6
[M-H]- 258.97639 148.6
[M+Na-2H]- 280.95834 152.5
[M]+ 259.98312 146.1
[M]- 259.98422 146.1
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