CID 4868397

2-chloro-n-(2-phenylpropyl)acetamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(CNC(=O)CCl)C1=CC=CC=C1
InChI
InChI=1S/C11H14ClNO/c1-9(8-13-11(14)7-12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKey
YFGRDOKFQFVYKR-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-phenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.6
[M+Na]+ 234.065608 153.0
[M-H]- 210.069114 149.8
[M+NH4]+ 229.110213 165.8
[M+K]+ 250.039548 149.2
[M+H-H2O]+ 194.073650 141.2
[M+HCOO]- 256.074591 165.5
[M+CH3COO]- 270.090241 188.2
[M+Na-2H]- 232.051056 151.0
[M]+ 211.07584142 148.0
[M]- 211.07693858 148.0
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.