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]+ 234.95645 140.2
[M+Na]+ 256.93839 151.9
[M-H]- 232.94189 144.2
[M+NH4]+ 251.98299 161.5
[M+K]+ 272.91233 141.1
[M+H-H2O]+ 216.94643 139.0
[M+HCOO]- 278.94737 159.0
[M+CH3COO]- 292.96302 188.0
[M+Na-2H]- 254.92384 145.4
[M]+ 233.94862 155.9
[M]- 233.94972 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.