CID 5152223

2-chloro-n-(2-cyanophenyl)propanamide

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC(C(=O)NC1=CC=CC=C1C#N)Cl
InChI
InChI=1S/C10H9ClN2O/c1-7(11)10(14)13-9-5-3-2-4-8(9)6-12/h2-5,7H,1H3,(H,13,14)
InChIKey
MZYSTFJMQJLNJX-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyanophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

208.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 147.4
[M+Na]+ 231.02956 157.3
[M-H]- 207.03306 150.7
[M+NH4]+ 226.07416 164.9
[M+K]+ 247.00350 152.8
[M+H-H2O]+ 191.03760 135.9
[M+HCOO]- 253.03854 163.4
[M+CH3COO]- 267.05419 199.1
[M+Na-2H]- 229.01501 151.1
[M]+ 208.03979 143.5
[M]- 208.04089 143.5
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

No patent data available for this compound.