CID 137186

1-[4-(trifluoromethyl)phenyl]ethanol

Structural Information

Molecular Formula
C9H9F3O
SMILES
CC(C1=CC=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
InChIKey
YMXIDIAEXNLCFT-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

190.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06783 143.5
[M+Na]+ 213.04977 152.6
[M+NH4]+ 208.09437 149.4
[M+K]+ 229.02371 147.7
[M-H]- 189.05327 140.3
[M+Na-2H]- 211.03522 147.5
[M]+ 190.06000 143.7
[M]- 190.06110 143.7
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