CID 140040

16185-96-9

Structural Information

Molecular Formula
C10H9F3O
SMILES
CCC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-2-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
InChIKey
PUSBIOFSWWHNDD-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

202.06055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 138.1
[M+Na]+ 225.049768 146.8
[M-H]- 201.053274 138.2
[M+NH4]+ 220.094373 157.4
[M+K]+ 241.023708 144.2
[M+H-H2O]+ 185.057810 130.4
[M+HCOO]- 247.058751 157.1
[M+CH3COO]- 261.074401 185.4
[M+Na-2H]- 223.035216 142.8
[M]+ 202.06000142 134.8
[M]- 202.06109858 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