CID 24696174

3-chloro-n-(3-cyanophenyl)propanamide

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC(=CC(=C1)NC(=O)CCCl)C#N
InChI
InChI=1S/C10H9ClN2O/c11-5-4-10(14)13-9-3-1-2-8(6-9)7-12/h1-3,6H,4-5H2,(H,13,14)
InChIKey
AEXRBJKYOXJJEK-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-cyanophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 146.4
[M+Na]+ 231.02956 156.5
[M-H]- 207.03306 149.5
[M+NH4]+ 226.07416 163.9
[M+K]+ 247.00350 151.6
[M+H-H2O]+ 191.03760 134.7
[M+HCOO]- 253.03854 163.2
[M+CH3COO]- 267.05419 198.3
[M+Na-2H]- 229.01501 151.2
[M]+ 208.03979 143.0
[M]- 208.04089 143.0
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

No patent data available for this compound.