CID 5274031

Chembl4454340

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC(=CC=C1C#N)NC(=O)C2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C14H9ClN2O2/c15-10-3-6-12(13(18)7-10)14(19)17-11-4-1-9(8-16)2-5-11/h1-7,18H,(H,17,19)
InChIKey
KPNHEMJZGKWYQM-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-cyanophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.03525 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.042526 165.0
[M+Na]+ 295.024468 176.2
[M-H]- 271.027974 169.6
[M+NH4]+ 290.069073 179.5
[M+K]+ 310.998408 169.1
[M+H-H2O]+ 255.032510 152.4
[M+HCOO]- 317.033451 180.6
[M+CH3COO]- 331.049101 207.0
[M+Na-2H]- 293.009916 168.0
[M]+ 272.03470142 160.9
[M]- 272.03579858 160.9
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

No patent data available for this compound.