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

21
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 139.2
[M+Na]+ 220.01357 151.3
[M+NH4]+ 215.05817 147.3
[M+K]+ 235.98751 145.2
[M-H]- 196.01707 141.0
[M+Na-2H]- 217.99902 145.9
[M]+ 197.02380 141.5
[M]- 197.02490 141.5
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

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