CID 2316688

4-(2-chloroacetamido)benzamide

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1=CC(=CC=C1C(=O)N)NC(=O)CCl
InChI
InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-3-1-6(2-4-7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKey
AHXTYKMJPLXNOS-UHFFFAOYSA-N
Compound name
4-[(2-chloroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.03525 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.042526 143.6
[M+Na]+ 235.024468 151.1
[M-H]- 211.027974 147.0
[M+NH4]+ 230.069073 162.3
[M+K]+ 250.998408 147.5
[M+H-H2O]+ 195.032510 138.3
[M+HCOO]- 257.033451 164.0
[M+CH3COO]- 271.049101 188.9
[M+Na-2H]- 233.009916 147.6
[M]+ 212.03470142 143.6
[M]- 212.03579858 143.6
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