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]+ 223.063256 150.3
[M+Na]+ 245.045198 160.1
[M-H]- 221.048704 153.3
[M+NH4]+ 240.089803 167.4
[M+K]+ 261.019138 154.9
[M+H-H2O]+ 205.053240 138.5
[M+HCOO]- 267.054181 166.9
[M+CH3COO]- 281.069831 201.0
[M+Na-2H]- 243.030646 154.7
[M]+ 222.05543142 147.3
[M]- 222.05652858 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.