CID 223480

2'-chloro-2-hydroxy-5-methylbenzophenone

Structural Information

Molecular Formula
C14H11ClO2
SMILES
CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO2/c1-9-6-7-13(16)11(8-9)14(17)10-4-2-3-5-12(10)15/h2-8,16H,1H3
InChIKey
BXAARESMPHIJGG-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(2-hydroxy-5-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

246.04475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.052026 150.6
[M+Na]+ 269.033968 160.4
[M-H]- 245.037474 156.7
[M+NH4]+ 264.078573 168.4
[M+K]+ 285.007908 154.9
[M+H-H2O]+ 229.042010 144.9
[M+HCOO]- 291.042951 168.6
[M+CH3COO]- 305.058601 190.8
[M+Na-2H]- 267.019416 154.5
[M]+ 246.04420142 152.8
[M]- 246.04529858 152.8
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