CID 2431959

N-(2-chloroacetyl)benzamide

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)CCl
InChI
InChI=1S/C9H8ClNO2/c10-6-8(12)11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13)
InChIKey
ZDAYXLBYGPADRK-UHFFFAOYSA-N
Compound name
N-(2-chloroacetyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

197.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 139.1
[M+Na]+ 220.01357 146.6
[M-H]- 196.01707 142.7
[M+NH4]+ 215.05817 158.8
[M+K]+ 235.98751 143.4
[M+H-H2O]+ 180.02161 134.0
[M+HCOO]- 242.02255 159.1
[M+CH3COO]- 256.03820 182.6
[M+Na-2H]- 217.99902 144.7
[M]+ 197.02380 140.4
[M]- 197.02490 140.4
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

No patent data available for this compound.