CID 41389

2-benzoyl-5-chlorophenol

Structural Information

Molecular Formula
C13H9ClO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C13H9ClO2/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
InChIKey
JYFJHKRWGLEWKH-UHFFFAOYSA-N
Compound name
(4-chloro-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

232.02911 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03639 147.6
[M+Na]+ 255.01833 163.7
[M+NH4]+ 250.06293 156.9
[M+K]+ 270.99227 155.7
[M-H]- 231.02183 152.0
[M+Na-2H]- 253.00378 157.4
[M]+ 232.02856 151.6
[M]- 232.02966 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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