CID 80277

Tetraconazole

Structural Information

Molecular Formula
C13H11Cl2F4N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
InChI
InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
InChIKey
LQDARGUHUSPFNL-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

96
References

38962
Patents

371.0215 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02878 170.7
[M+Na]+ 394.01072 180.2
[M-H]- 370.01422 167.7
[M+NH4]+ 389.05532 181.7
[M+K]+ 409.98466 173.6
[M+H-H2O]+ 354.01876 158.5
[M+HCOO]- 416.01970 174.8
[M+CH3COO]- 430.03535 211.9
[M+Na-2H]- 391.99617 170.6
[M]+ 371.02095 171.0
[M]- 371.02205 171.0
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

No patent data available for this compound.