CID 3429836

N-[4-(2-chloroacetyl)phenyl]propanamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CCC(=O)NC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C11H12ClNO2/c1-2-11(15)13-9-5-3-8(4-6-9)10(14)7-12/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey
HZHWAGTXPKRYLN-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroacetyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.8
[M+Na]+ 248.04487 159.7
[M+NH4]+ 243.08947 155.5
[M+K]+ 264.01881 153.4
[M-H]- 224.04837 149.5
[M+Na-2H]- 246.03032 153.7
[M]+ 225.05510 150.0
[M]- 225.05620 150.0
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.