CID 21115378

N-[3-(2-chloroacetyl)phenyl]acetamide

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
CC(=O)NC1=CC=CC(=C1)C(=O)CCl
InChI
InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-3-8(5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
GMDYGMPQLQNBEO-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroacetyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

211.04001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 142.9
[M+Na]+ 234.029228 150.9
[M-H]- 210.032734 146.7
[M+NH4]+ 229.073833 162.3
[M+K]+ 250.003168 147.4
[M+H-H2O]+ 194.037270 137.9
[M+HCOO]- 256.038211 162.6
[M+CH3COO]- 270.053861 187.4
[M+Na-2H]- 232.014676 147.3
[M]+ 211.03946142 145.1
[M]- 211.04055858 145.1
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

patents stripe