CID 188694

Furconazole

Structural Information

Molecular Formula
C15H14Cl2F3N3O2
SMILES
C1CC(OC1OCC(F)(F)F)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2
InChIKey
ULCWZQJLFZEXCS-UHFFFAOYSA-N
Compound name
1-[[2-(2,4-dichlorophenyl)-5-(2,2,2-trifluoroethoxy)oxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12651
Patents

395.0415 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.04878 181.2
[M+Na]+ 418.03072 191.3
[M-H]- 394.03422 183.5
[M+NH4]+ 413.07532 193.7
[M+K]+ 434.00466 185.9
[M+H-H2O]+ 378.03876 169.9
[M+HCOO]- 440.03970 186.1
[M+CH3COO]- 454.05535 212.2
[M+Na-2H]- 416.01617 181.0
[M]+ 395.04095 182.5
[M]- 395.04205 182.5
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

patents stripe