CID 16322143

{1-[5-(trifluoromethyl)pyridin-2-yl]-1h-1,2,3-triazol-4-yl}methanol

Structural Information

Molecular Formula
C9H7F3N4O
SMILES
C1=CC(=NC=C1C(F)(F)F)N2C=C(N=N2)CO
InChI
InChI=1S/C9H7F3N4O/c10-9(11,12)6-1-2-8(13-3-6)16-4-7(5-17)14-15-16/h1-4,17H,5H2
InChIKey
WEZZNNGIHSTWIL-UHFFFAOYSA-N
Compound name
[1-[5-(trifluoromethyl)pyridin-2-yl]triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05719 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06447 148.8
[M+Na]+ 267.04641 159.5
[M-H]- 243.04991 145.9
[M+NH4]+ 262.09101 161.9
[M+K]+ 283.02035 154.9
[M+H-H2O]+ 227.05445 137.4
[M+HCOO]- 289.05539 164.1
[M+CH3COO]- 303.07104 187.7
[M+Na-2H]- 265.03186 153.8
[M]+ 244.05664 145.3
[M]- 244.05774 145.3
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.