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]+ 226.06293 147.4
[M+Na]+ 248.04487 154.7
[M-H]- 224.04837 151.1
[M+NH4]+ 243.08947 166.1
[M+K]+ 264.01881 151.5
[M+H-H2O]+ 208.05291 142.3
[M+HCOO]- 270.05385 165.8
[M+CH3COO]- 284.06950 191.4
[M+Na-2H]- 246.03032 150.0
[M]+ 225.05510 149.3
[M]- 225.05620 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.