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]+ 253.073836 149.8
[M+Na]+ 275.055778 157.7
[M-H]- 251.059284 157.0
[M+NH4]+ 270.100383 162.3
[M+K]+ 291.029718 152.7
[M+H-H2O]+ 235.063820 143.6
[M+HCOO]- 297.064761 170.5
[M+CH3COO]- 311.080411 199.0
[M+Na-2H]- 273.041226 154.3
[M]+ 252.06601142 153.1
[M]- 252.06710858 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.