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

22
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

literature stripe

Patent stripe

patents stripe