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 160.6
[M+Na]+ 340.96630 171.1
[M-H]- 316.96980 166.6
[M+NH4]+ 336.01090 179.1
[M+K]+ 356.94024 157.7
[M+H-H2O]+ 300.97434 159.7
[M+HCOO]- 362.97528 178.2
[M+CH3COO]- 376.99093 205.0
[M+Na-2H]- 338.95175 164.9
[M]+ 317.97653 180.7
[M]- 317.97763 180.7
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.