CID 118990162

1-(2-bromophenyl)-2,2-difluoroethanone

Structural Information

Molecular Formula
C8H5BrF2O
SMILES
C1=CC=C(C(=C1)C(=O)C(F)F)Br
InChI
InChI=1S/C8H5BrF2O/c9-6-4-2-1-3-5(6)7(12)8(10)11/h1-4,8H
InChIKey
LPYRPBFFLWHOPO-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94917 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.956446 140.2
[M+Na]+ 256.938388 151.9
[M-H]- 232.941894 144.2
[M+NH4]+ 251.982993 161.5
[M+K]+ 272.912328 141.1
[M+H-H2O]+ 216.946430 139.0
[M+HCOO]- 278.947371 159.0
[M+CH3COO]- 292.963021 188.0
[M+Na-2H]- 254.923836 145.4
[M]+ 233.94862142 155.9
[M]- 233.94971858 155.9
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.