CID 225525

N1-(2-chlorophenyl)-2-bromoacetamide

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
C1=CC=C(C(=C1)NC(=O)CBr)Cl
InChI
InChI=1S/C8H7BrClNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey
WIOJXHICOOQVAB-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

246.93996 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 141.5
[M+Na]+ 269.92918 153.5
[M-H]- 245.93268 147.8
[M+NH4]+ 264.97378 163.1
[M+K]+ 285.90312 140.7
[M+H-H2O]+ 229.93722 142.1
[M+HCOO]- 291.93816 159.8
[M+CH3COO]- 305.95381 189.4
[M+Na-2H]- 267.91463 149.1
[M]+ 246.93941 161.1
[M]- 246.94051 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe