CID 487718

5-chloro-2-hydroxy-n-(4-methylphenyl)benzamide

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C14H12ClNO2/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17/h2-8,17H,1H3,(H,16,18)
InChIKey
KLORATCDRSXVPO-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

261.05566 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.0
[M+Na]+ 284.04488 165.0
[M-H]- 260.04838 162.0
[M+NH4]+ 279.08948 173.0
[M+K]+ 300.01882 159.4
[M+H-H2O]+ 244.05292 150.0
[M+HCOO]- 306.05386 175.1
[M+CH3COO]- 320.06951 195.1
[M+Na-2H]- 282.03033 160.2
[M]+ 261.05511 157.5
[M]- 261.05621 157.5
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