CID 129631897

Fluconazol al

Structural Information

Molecular Formula
C14H12F2N6O2
SMILES
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(C(C=O)N3C=NC=N3)O
InChI
InChI=1S/C14H12F2N6O2/c15-10-1-2-11(12(16)3-10)14(24,5-21-8-17-6-19-21)13(4-23)22-9-18-7-20-22/h1-4,6-9,13,24H,5H2
InChIKey
WVSASYMKNSJULA-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)-3-hydroxy-2,4-bis(1,2,4-triazol-1-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9253
References

0
Patents

334.09897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10625 169.6
[M+Na]+ 357.08819 179.8
[M+NH4]+ 352.13279 171.9
[M+K]+ 373.06213 180.2
[M-H]- 333.09169 166.4
[M+Na-2H]- 355.07364 175.8
[M]+ 334.09842 169.6
[M]- 334.09952 169.6
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

No patent data available for this compound.