CID 3765592

2,2,2-trifluoro-1-(naphthalen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H9F3O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C(F)(F)F)O
InChI
InChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H
InChIKey
MLTCXWGPOGVAPM-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.06055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.067826 144.6
[M+Na]+ 249.049768 153.2
[M-H]- 225.053274 144.1
[M+NH4]+ 244.094373 163.2
[M+K]+ 265.023708 148.9
[M+H-H2O]+ 209.057810 136.6
[M+HCOO]- 271.058751 161.0
[M+CH3COO]- 285.074401 187.1
[M+Na-2H]- 247.035216 151.0
[M]+ 226.06000142 139.7
[M]- 226.06109858 139.7
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