CID 2737564

5-fluoro-2-(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C8H6F4O
SMILES
C1=CC(=C(C=C1F)CO)C(F)(F)F
InChI
InChI=1S/C8H6F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2
InChIKey
AGVUJWYLCSOJDS-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

194.03548 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04276 146.5
[M+Na]+ 217.02470 154.9
[M+NH4]+ 212.06930 151.4
[M+K]+ 232.99864 149.8
[M-H]- 193.02820 142.2
[M+Na-2H]- 215.01015 149.6
[M]+ 194.03493 146.2
[M]- 194.03603 146.2
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