CID 470794

(2r,3s,5r)-2-(hydroxymethyl)-5-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C8H10F3N3O3
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC=N2)(CO)C(F)(F)F)O
InChI
InChI=1S/C8H10F3N3O3/c9-8(10,11)7(2-15)5(16)1-6(17-7)14-4-12-3-13-14/h3-6,15-16H,1-2H2/t5-,6+,7+/m0/s1
InChIKey
BBXPAAFNYOLOCA-RRKCRQDMSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06743 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07471 147.0
[M+Na]+ 276.05665 156.1
[M-H]- 252.06015 144.8
[M+NH4]+ 271.10125 162.8
[M+K]+ 292.03059 154.7
[M+H-H2O]+ 236.06469 138.5
[M+HCOO]- 298.06563 160.1
[M+CH3COO]- 312.08128 184.1
[M+Na-2H]- 274.04210 150.2
[M]+ 253.06688 142.7
[M]- 253.06798 142.7
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.