CID 84662433

[4-(2,2,2-trifluoroethyl)phenyl]methanol

Structural Information

Molecular Formula
C9H9F3O
SMILES
C1=CC(=CC=C1CC(F)(F)F)CO
InChI
InChI=1S/C9H9F3O/c10-9(11,12)5-7-1-3-8(6-13)4-2-7/h1-4,13H,5-6H2
InChIKey
PEJVXOLAPROZSH-UHFFFAOYSA-N
Compound name
[4-(2,2,2-trifluoroethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 135.6
[M+Na]+ 213.04977 144.2
[M-H]- 189.05327 134.3
[M+NH4]+ 208.09437 154.8
[M+K]+ 229.02371 141.0
[M+H-H2O]+ 173.05781 128.1
[M+HCOO]- 235.05875 154.2
[M+CH3COO]- 249.07440 179.8
[M+Na-2H]- 211.03522 141.5
[M]+ 190.06000 131.3
[M]- 190.06110 131.3
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