CID 14205782

3,3,3-trifluoro-2-phenylpropan-1-ol

Structural Information

Molecular Formula
C9H9F3O
SMILES
C1=CC=C(C=C1)C(CO)C(F)(F)F
InChI
InChI=1S/C9H9F3O/c10-9(11,12)8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKey
PDMIASFCGOSLLC-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

190.06055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.067826 136.1
[M+Na]+ 213.049768 143.5
[M-H]- 189.053274 134.4
[M+NH4]+ 208.094373 154.9
[M+K]+ 229.023708 140.7
[M+H-H2O]+ 173.057810 128.5
[M+HCOO]- 235.058751 153.6
[M+CH3COO]- 249.074401 179.5
[M+Na-2H]- 211.035216 141.4
[M]+ 190.06000142 130.8
[M]- 190.06109858 130.8
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