CID 2079404

N-{[(4-bromo-2-methylphenyl)carbamoyl]methyl}-2-chloroacetamide

Structural Information

Molecular Formula
C11H12BrClN2O2
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCl
InChI
InChI=1S/C11H12BrClN2O2/c1-7-4-8(12)2-3-9(7)15-11(17)6-14-10(16)5-13/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKey
APRUFSPQGDJZOF-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-2-[(2-chloroacetyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.97708 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.98436 160.9
[M+Na]+ 340.96630 162.7
[M+NH4]+ 336.01090 164.4
[M+K]+ 356.94024 162.7
[M-H]- 316.96980 161.2
[M+Na-2H]- 338.95175 162.9
[M]+ 317.97653 160.0
[M]- 317.97763 160.0
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.