CID 2758931

4'-ethyl-2,2,2-trifluoroacetophenone

Structural Information

Molecular Formula
C10H9F3O
SMILES
CCC1=CC=C(C=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6H,2H2,1H3
InChIKey
ISFVKKPXBGQFRW-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

202.06055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 138.1
[M+Na]+ 225.04977 146.8
[M-H]- 201.05327 138.2
[M+NH4]+ 220.09437 157.4
[M+K]+ 241.02371 144.2
[M+H-H2O]+ 185.05781 130.4
[M+HCOO]- 247.05875 157.1
[M+CH3COO]- 261.07440 185.4
[M+Na-2H]- 223.03522 142.8
[M]+ 202.06000 134.8
[M]- 202.06110 134.8
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

patents stripe