CID 10924391

160709-02-4

Structural Information

Molecular Formula
C14H15F2N3O2
SMILES
C1[C@@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)CO
InChI
InChI=1S/C14H15F2N3O2/c15-11-1-2-12(13(16)3-11)14(4-10(5-20)6-21-14)7-19-9-17-8-18-19/h1-3,8-10,20H,4-7H2/t10-,14+/m1/s1
InChIKey
YGEFLWFVJLRJDL-YGRLFVJLSA-N
Compound name
[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

295.11322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12050 167.5
[M+Na]+ 318.10244 177.6
[M+NH4]+ 313.14704 173.9
[M+K]+ 334.07638 174.0
[M-H]- 294.10594 168.2
[M+Na-2H]- 316.08789 173.2
[M]+ 295.11267 168.9
[M]- 295.11377 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe