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

9281
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 170.8
[M+Na]+ 357.08819 180.6
[M-H]- 333.09169 170.8
[M+NH4]+ 352.13279 178.7
[M+K]+ 373.06213 175.2
[M+H-H2O]+ 317.09623 158.3
[M+HCOO]- 379.09717 185.5
[M+CH3COO]- 393.11282 180.0
[M+Na-2H]- 355.07364 173.1
[M]+ 334.09842 171.1
[M]- 334.09952 171.1
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.