CID 2760122

(2-methyl-6-(trifluoromethyl)pyridin-3-yl)methanol

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)CO
InChI
InChI=1S/C8H8F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-3,13H,4H2,1H3
InChIKey
PXDNFCWBWHATSU-UHFFFAOYSA-N
Compound name
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

191.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 135.4
[M+Na]+ 214.045018 145.4
[M-H]- 190.048524 133.1
[M+NH4]+ 209.089623 153.6
[M+K]+ 230.018958 142.3
[M+H-H2O]+ 174.053060 127.4
[M+HCOO]- 236.054001 153.0
[M+CH3COO]- 250.069651 180.6
[M+Na-2H]- 212.030466 141.2
[M]+ 191.05525142 131.7
[M]- 191.05634858 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

patents stripe