CID 238418

Pentafluoroethyl phenyl ketone

Structural Information

Molecular Formula
C9H5F5O
SMILES
C1=CC=C(C=C1)C(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5H
InChIKey
VUBUXALTYMBEQO-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2525
Patents

224.02606 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03334 157.4
[M+Na]+ 247.01528 163.6
[M+NH4]+ 242.05988 160.8
[M+K]+ 262.98922 159.4
[M-H]- 223.01878 151.4
[M+Na-2H]- 245.00073 159.5
[M]+ 224.02551 156.3
[M]- 224.02661 156.3
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