CID 229009

5-bromo-2-hydroxybenzophenone

Structural Information

Molecular Formula
C13H9BrO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C13H9BrO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
InChIKey
IVIICRNXAGUXLR-UHFFFAOYSA-N
Compound name
(5-bromo-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

114
Patents

275.97858 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98586 152.1
[M+Na]+ 298.96780 163.1
[M-H]- 274.97130 160.3
[M+NH4]+ 294.01240 171.1
[M+K]+ 314.94174 151.4
[M+H-H2O]+ 258.97584 151.8
[M+HCOO]- 320.97678 172.4
[M+CH3COO]- 334.99243 192.6
[M+Na-2H]- 296.95325 158.4
[M]+ 275.97803 169.9
[M]- 275.97913 169.9
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