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
1
Annotation Hits

0
References

126
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 151.9
[M+Na]+ 269.03397 168.1
[M+NH4]+ 264.07857 161.0
[M+K]+ 285.00791 160.1
[M-H]- 245.03747 156.3
[M+Na-2H]- 267.01942 161.2
[M]+ 246.04420 155.9
[M]- 246.04530 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe