CID 256951

2-(4-bromophenyl)acetamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1=CC(=CC=C1CC(=O)N)Br
InChI
InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
ZBARBHKSSXDLMK-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

635
Patents

212.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 137.1
[M+Na]+ 235.968148 147.9
[M-H]- 211.971654 143.0
[M+NH4]+ 231.012753 158.7
[M+K]+ 251.942088 136.8
[M+H-H2O]+ 195.976190 136.8
[M+HCOO]- 257.977131 159.0
[M+CH3COO]- 271.992781 185.9
[M+Na-2H]- 233.953596 143.9
[M]+ 212.97838142 153.8
[M]- 212.97947858 153.8
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