CID 693035

N-(2-chlorophenyl)-2-cyanoacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.02469 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe