CID 24690329

4-chloro-n-(4-cyanophenyl)butanamide

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C1=CC(=CC=C1C#N)NC(=O)CCCCl
InChI
InChI=1S/C11H11ClN2O/c12-7-1-2-11(15)14-10-5-3-9(8-13)4-6-10/h3-6H,1-2,7H2,(H,14,15)
InChIKey
RCFZGBXDYJPYFR-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-cyanophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 150.3
[M+Na]+ 245.04520 160.1
[M-H]- 221.04870 153.3
[M+NH4]+ 240.08980 167.4
[M+K]+ 261.01914 154.9
[M+H-H2O]+ 205.05324 138.5
[M+HCOO]- 267.05418 166.9
[M+CH3COO]- 281.06983 201.0
[M+Na-2H]- 243.03065 154.7
[M]+ 222.05543 147.3
[M]- 222.05653 147.3
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.