CID 94818

2-bromo-n-phenylacetamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1=CC=C(C=C1)NC(=O)CBr
InChI
InChI=1S/C8H8BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey
DCPLOIFDMMEBQZ-UHFFFAOYSA-N
Compound name
2-bromo-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

914
Patents

212.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 136.8
[M+Na]+ 235.968148 146.9
[M-H]- 211.971654 142.9
[M+NH4]+ 231.012753 158.5
[M+K]+ 251.942088 136.2
[M+H-H2O]+ 195.976190 136.4
[M+HCOO]- 257.977131 159.5
[M+CH3COO]- 271.992781 184.8
[M+Na-2H]- 233.953596 145.4
[M]+ 212.97838142 154.1
[M]- 212.97947858 154.1
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