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]+ 273.04253 165.0
[M+Na]+ 295.02447 176.2
[M-H]- 271.02797 169.6
[M+NH4]+ 290.06907 179.5
[M+K]+ 310.99841 169.1
[M+H-H2O]+ 255.03251 152.4
[M+HCOO]- 317.03345 180.6
[M+CH3COO]- 331.04910 207.0
[M+Na-2H]- 293.00992 168.0
[M]+ 272.03470 160.9
[M]- 272.03580 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.