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

15
Patents

212.03525 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 143.6
[M+Na]+ 235.02447 151.1
[M-H]- 211.02797 147.0
[M+NH4]+ 230.06907 162.3
[M+K]+ 250.99841 147.5
[M+H-H2O]+ 195.03251 138.3
[M+HCOO]- 257.03345 164.0
[M+CH3COO]- 271.04910 188.9
[M+Na-2H]- 233.00992 147.6
[M]+ 212.03470 143.6
[M]- 212.03580 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