CID 4299726

2-(4-bromophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
C1=CC(=CC=C1C(C(=O)N)Cl)Br
InChI
InChI=1S/C8H7BrClNO/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H2,11,12)
InChIKey
FOLWCGJZWPBJNT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 142.6
[M+Na]+ 269.92918 154.2
[M-H]- 245.93268 148.5
[M+NH4]+ 264.97378 163.8
[M+K]+ 285.90312 141.4
[M+H-H2O]+ 229.93722 143.2
[M+HCOO]- 291.93816 159.3
[M+CH3COO]- 305.95381 190.3
[M+Na-2H]- 267.91463 147.9
[M]+ 246.93941 160.7
[M]- 246.94051 160.7
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

patents stripe