CID 99770474

[6-(pentafluoroethyl)pyridin-2-yl]methanol

Structural Information

Molecular Formula
C8H6F5NO
SMILES
C1=CC(=NC(=C1)C(C(F)(F)F)(F)F)CO
InChI
InChI=1S/C8H6F5NO/c9-7(10,8(11,12)13)6-3-1-2-5(4-15)14-6/h1-3,15H,4H2
InChIKey
IQVGOXFUODMNIR-UHFFFAOYSA-N
Compound name
[6-(1,1,2,2,2-pentafluoroethyl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03696 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04424 141.5
[M+Na]+ 250.02618 151.0
[M-H]- 226.02968 136.4
[M+NH4]+ 245.07078 157.7
[M+K]+ 266.00012 147.4
[M+H-H2O]+ 210.03422 131.8
[M+HCOO]- 272.03516 155.2
[M+CH3COO]- 286.05081 185.7
[M+Na-2H]- 248.01163 147.4
[M]+ 227.03641 134.2
[M]- 227.03751 134.2
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

No patent data available for this compound.