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 144.3
[M+Na]+ 231.02956 156.2
[M+NH4]+ 226.07416 149.2
[M+K]+ 247.00350 146.3
[M-H]- 207.03306 139.4
[M+Na-2H]- 229.01501 148.4
[M]+ 208.03979 143.9
[M]- 208.04089 143.9
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.