CID 17374

N-(4-bromophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
C1=CC(=CC=C1NC(=O)CCl)Br
InChI
InChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKey
FRZKCMCCQAJIBN-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

246.93996 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 142.0
[M+Na]+ 269.92918 145.8
[M+NH4]+ 264.97378 147.3
[M+K]+ 285.90312 145.0
[M-H]- 245.93268 143.1
[M+Na-2H]- 267.91463 146.2
[M]+ 246.93941 141.9
[M]- 246.94051 141.9
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