CID 2118137

2-chloro-n-(3-acetamidophenyl)acetamide

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CC(=O)NC1=CC(=CC=C1)NC(=O)CCl
InChI
InChI=1S/C10H11ClN2O2/c1-7(14)12-8-3-2-4-9(5-8)13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKey
OFCXEGVJCMFKGG-UHFFFAOYSA-N
Compound name
N-(3-acetamidophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.0509 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 148.1
[M+Na]+ 249.04012 155.2
[M-H]- 225.04362 151.8
[M+NH4]+ 244.08472 166.5
[M+K]+ 265.01406 151.7
[M+H-H2O]+ 209.04816 142.6
[M+HCOO]- 271.04910 168.7
[M+CH3COO]- 285.06475 191.8
[M+Na-2H]- 247.02557 152.6
[M]+ 226.05035 149.4
[M]- 226.05145 149.4
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