CID 17750728

886502-81-4

Structural Information

Molecular Formula
C9H9F3O
SMILES
CC1=CC(=C(C=C1)C(F)(F)F)CO
InChI
InChI=1S/C9H9F3O/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4,13H,5H2,1H3
InChIKey
WZMOLCCNJJHAJQ-UHFFFAOYSA-N
Compound name
[5-methyl-2-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

190.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.067826 135.0
[M+Na]+ 213.049768 144.6
[M-H]- 189.053274 134.1
[M+NH4]+ 208.094373 154.6
[M+K]+ 229.023708 141.4
[M+H-H2O]+ 173.057810 127.8
[M+HCOO]- 235.058751 153.5
[M+CH3COO]- 249.074401 181.0
[M+Na-2H]- 211.035216 140.3
[M]+ 190.06000142 131.1
[M]- 190.06109858 131.1
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