CID 11275510

2-[4-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H9F3O
SMILES
C1=CC(=CC=C1CCO)C(F)(F)F
InChI
InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
InChIKey
SXMYWTQEZRZKBK-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
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 135.6
[M+Na]+ 213.049768 144.2
[M-H]- 189.053274 134.3
[M+NH4]+ 208.094373 154.8
[M+K]+ 229.023708 141.0
[M+H-H2O]+ 173.057810 128.1
[M+HCOO]- 235.058751 154.2
[M+CH3COO]- 249.074401 179.8
[M+Na-2H]- 211.035216 141.5
[M]+ 190.06000142 131.3
[M]- 190.06109858 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

literature stripe

Patent stripe

patents stripe