CID 519889

2'-carbamoyl-2-chloroacetanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

212.03525 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe