CID 75406297

1246466-58-9

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CC1=CC(=NC=C1C(F)(F)F)CO
InChI
InChI=1S/C8H8F3NO/c1-5-2-6(4-13)12-3-7(5)8(9,10)11/h2-3,13H,4H2,1H3
InChIKey
UGDMGBUYTRLIJY-UHFFFAOYSA-N
Compound name
[4-methyl-5-(trifluoromethyl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 135.4
[M+Na]+ 214.04502 145.4
[M-H]- 190.04852 133.1
[M+NH4]+ 209.08962 153.6
[M+K]+ 230.01896 142.3
[M+H-H2O]+ 174.05306 127.4
[M+HCOO]- 236.05400 153.0
[M+CH3COO]- 250.06965 180.6
[M+Na-2H]- 212.03047 141.2
[M]+ 191.05525 131.7
[M]- 191.05635 131.7
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.