CID 3867401

2-(2-chloroacetamido)-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCl
InChI
InChI=1S/C12H13ClN2O2/c13-7-11(16)15-10-4-2-1-3-9(10)12(17)14-8-5-6-8/h1-4,8H,5-7H2,(H,14,17)(H,15,16)
InChIKey
ZRRVGQRDHXTKRU-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 149.8
[M+Na]+ 275.05578 157.7
[M-H]- 251.05928 157.0
[M+NH4]+ 270.10038 162.3
[M+K]+ 291.02972 152.7
[M+H-H2O]+ 235.06382 143.6
[M+HCOO]- 297.06476 170.5
[M+CH3COO]- 311.08041 199.0
[M+Na-2H]- 273.04123 154.3
[M]+ 252.06601 153.1
[M]- 252.06711 153.1
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

No patent data available for this compound.