CID 6259

2-bromoacetophenone

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
LIGACIXOYTUXAW-UHFFFAOYSA-N
Compound name
2-bromo-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

146
References

17623
Patents

197.96803 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97531 132.7
[M+Na]+ 220.95725 143.8
[M-H]- 196.96075 139.1
[M+NH4]+ 216.00185 155.4
[M+K]+ 236.93119 133.5
[M+H-H2O]+ 180.96529 133.3
[M+HCOO]- 242.96623 154.5
[M+CH3COO]- 256.98188 181.0
[M+Na-2H]- 218.94270 141.2
[M]+ 197.96748 151.0
[M]- 197.96858 151.0
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