CID 3141867

N-(4-acetylphenyl)-2-chloropropanamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CC(C(=O)NC1=CC=C(C=C1)C(=O)C)Cl
InChI
InChI=1S/C11H12ClNO2/c1-7(12)11(15)13-10-5-3-9(4-6-10)8(2)14/h3-7H,1-2H3,(H,13,15)
InChIKey
WDVDOXHJSQAQHL-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 147.4
[M+Na]+ 248.044868 154.7
[M-H]- 224.048374 151.1
[M+NH4]+ 243.089473 166.1
[M+K]+ 264.018808 151.5
[M+H-H2O]+ 208.052910 142.3
[M+HCOO]- 270.053851 165.8
[M+CH3COO]- 284.069501 191.4
[M+Na-2H]- 246.030316 150.0
[M]+ 225.05510142 149.3
[M]- 225.05619858 149.3
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.