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
2
Annotation Hits

0
References

66
Patents

295.11322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.120496 161.7
[M+Na]+ 318.102438 170.8
[M-H]- 294.105944 165.0
[M+NH4]+ 313.147043 176.4
[M+K]+ 334.076378 167.3
[M+H-H2O]+ 278.110480 151.5
[M+HCOO]- 340.111421 178.3
[M+CH3COO]- 354.127071 172.7
[M+Na-2H]- 316.087886 162.6
[M]+ 295.11267142 159.7
[M]- 295.11376858 159.7
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