CID 50998182

1092712-26-9

Structural Information

Molecular Formula
C8H3F5O
SMILES
C1=CC(=C(C(=C1)F)C(=O)C(F)(F)F)F
InChI
InChI=1S/C8H3F5O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3H
InChIKey
FGBCJKYISOMHFD-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01768 154.1
[M+Na]+ 232.99962 161.1
[M+NH4]+ 228.04422 157.7
[M+K]+ 248.97356 156.5
[M-H]- 209.00312 148.6
[M+Na-2H]- 230.98507 156.0
[M]+ 210.00985 153.2
[M]- 210.01095 153.2
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.