CID 69564

2,2,2,4'-tetrafluoroacetophenone

Structural Information

Molecular Formula
C8H4F4O
SMILES
C1=CC(=CC=C1C(=O)C(F)(F)F)F
InChI
InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey
LUKLMXJAEKXROG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

431
Patents

192.01982 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 145.9
[M+Na]+ 215.00904 154.2
[M+NH4]+ 210.05364 150.8
[M+K]+ 230.98298 149.3
[M-H]- 191.01254 141.6
[M+Na-2H]- 212.99449 149.3
[M]+ 192.01927 145.6
[M]- 192.02037 145.6
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