CID 43234

Propiconazole

Structural Information

Molecular Formula
C15H17Cl2N3O2
SMILES
CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey
STJLVHWMYQXCPB-UHFFFAOYSA-N
Compound name
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

464
References

59440
Patents

341.0698 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.077076 176.1
[M+Na]+ 364.059018 185.7
[M-H]- 340.062524 182.3
[M+NH4]+ 359.103623 189.3
[M+K]+ 380.032958 182.0
[M+H-H2O]+ 324.067060 167.1
[M+HCOO]- 386.068001 184.4
[M+CH3COO]- 400.083651 186.7
[M+Na-2H]- 362.044466 176.4
[M]+ 341.06925142 181.1
[M]- 341.07034858 181.1
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

patents stripe