CID 87269

N-(4-chlorophenyl)-2-cyanoacetamide

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC(=CC=C1NC(=O)CC#N)Cl
InChI
InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKey
FLLVVAHFEBGZKD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

72
Patents

194.02469 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 142.4
[M+Na]+ 217.013908 152.8
[M-H]- 193.017414 145.7
[M+NH4]+ 212.058513 160.4
[M+K]+ 232.987848 148.2
[M+H-H2O]+ 177.021950 130.9
[M+HCOO]- 239.022891 159.5
[M+CH3COO]- 253.038541 195.6
[M+Na-2H]- 214.999356 147.7
[M]+ 194.02414142 138.6
[M]- 194.02523858 138.6
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