CID 5274061

Gnf-pf-1115

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
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

patents stripe