CID 66545218

[2,6-bis(trifluoromethyl)pyridin-4-yl]methanol

Structural Information

Molecular Formula
C8H5F6NO
SMILES
C1=C(C=C(N=C1C(F)(F)F)C(F)(F)F)CO
InChI
InChI=1S/C8H5F6NO/c9-7(10,11)5-1-4(3-16)2-6(15-5)8(12,13)14/h1-2,16H,3H2
InChIKey
UBVZPATWMLNESO-UHFFFAOYSA-N
Compound name
[2,6-bis(trifluoromethyl)pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03481 163.6
[M+Na]+ 268.01675 168.7
[M+NH4]+ 263.06135 165.4
[M+K]+ 283.99069 165.1
[M-H]- 244.02025 156.3
[M+Na-2H]- 266.00220 164.1
[M]+ 245.02698 161.9
[M]- 245.02808 161.9
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.