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

62
Patents

190.06055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06783 143.1
[M+Na]+ 213.04977 151.9
[M+NH4]+ 208.09437 149.0
[M+K]+ 229.02371 146.8
[M-H]- 189.05327 139.9
[M+Na-2H]- 211.03522 147.4
[M]+ 190.06000 143.2
[M]- 190.06110 143.2
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