CID 871334

2-amino-n-(4-bromophenyl)acetamide hydrochloride

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
C1=CC(=CC=C1NC(=O)CN)Br
InChI
InChI=1S/C8H9BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
InChIKey
AXRMYSHRBDXGGO-UHFFFAOYSA-N
Compound name
2-amino-N-(4-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2
Patents

227.98982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 140.7
[M+Na]+ 250.979038 150.6
[M-H]- 226.982544 146.4
[M+NH4]+ 246.023643 161.3
[M+K]+ 266.952978 139.1
[M+H-H2O]+ 210.987080 139.4
[M+HCOO]- 272.988021 163.5
[M+CH3COO]- 287.003671 189.9
[M+Na-2H]- 248.964486 147.6
[M]+ 227.98927142 156.5
[M]- 227.99036858 156.5
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