CID 130842858

N-(4-bromo-2-hydroxyphenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
C1=CC(=C(C=C1Br)O)NC(=O)CCl
InChI
InChI=1S/C8H7BrClNO2/c9-5-1-2-6(7(12)3-5)11-8(13)4-10/h1-3,12H,4H2,(H,11,13)
InChIKey
AUHJTTKFWSWTNK-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-hydroxyphenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.94216 144.1
[M+Na]+ 285.92410 156.3
[M-H]- 261.92760 149.4
[M+NH4]+ 280.96870 164.6
[M+K]+ 301.89804 143.1
[M+H-H2O]+ 245.93214 144.8
[M+HCOO]- 307.93308 161.1
[M+CH3COO]- 321.94873 190.1
[M+Na-2H]- 283.90955 150.5
[M]+ 262.93433 163.5
[M]- 262.93543 163.5
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.