CID 4962345

2-chloro-n-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}acetamide

Structural Information

Molecular Formula
C11H12Cl2N2O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CCl
InChI
InChI=1S/C11H12Cl2N2O2/c1-7-8(13)3-2-4-9(7)15-11(17)6-14-10(16)5-12/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKey
RTOOBADLSRNLPO-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03488 158.5
[M+Na]+ 297.01682 166.5
[M-H]- 273.02032 161.7
[M+NH4]+ 292.06142 175.7
[M+K]+ 312.99076 161.3
[M+H-H2O]+ 257.02486 154.0
[M+HCOO]- 319.02580 173.8
[M+CH3COO]- 333.04145 200.5
[M+Na-2H]- 295.00227 161.0
[M]+ 274.02705 161.7
[M]- 274.02815 161.7
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.