CID 122164074

1-(4-bromo-2,3-difluorophenyl)-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C8H2BrF5O
SMILES
C1=CC(=C(C(=C1C(=O)C(F)(F)F)F)F)Br
InChI
InChI=1S/C8H2BrF5O/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChIKey
WEWSLUVBAKBTPE-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,3-difluorophenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.92093 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92821 151.1
[M+Na]+ 310.91015 165.3
[M-H]- 286.91365 152.1
[M+NH4]+ 305.95475 170.8
[M+K]+ 326.88409 153.1
[M+H-H2O]+ 270.91819 147.9
[M+HCOO]- 332.91913 166.2
[M+CH3COO]- 346.93478 197.0
[M+Na-2H]- 308.89560 154.6
[M]+ 287.92038 163.7
[M]- 287.92148 163.7
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.