CID 555814

5-chloro-2-hydroxy-4-methylbenzophenone

Structural Information

Molecular Formula
C14H11ClO2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H11ClO2/c1-9-7-13(16)11(8-12(9)15)14(17)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKey
IOGQACQRFGDUPT-UHFFFAOYSA-N
Compound name
(5-chloro-2-hydroxy-4-methylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

246.04475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 150.6
[M+Na]+ 269.03397 160.4
[M-H]- 245.03747 156.7
[M+NH4]+ 264.07857 168.4
[M+K]+ 285.00791 154.9
[M+H-H2O]+ 229.04201 144.9
[M+HCOO]- 291.04295 168.6
[M+CH3COO]- 305.05860 190.8
[M+Na-2H]- 267.01942 154.5
[M]+ 246.04420 152.8
[M]- 246.04530 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