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

59058
Patents

341.0698 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07708 176.1
[M+Na]+ 364.05902 185.7
[M-H]- 340.06252 182.3
[M+NH4]+ 359.10362 189.3
[M+K]+ 380.03296 182.0
[M+H-H2O]+ 324.06706 167.1
[M+HCOO]- 386.06800 184.4
[M+CH3COO]- 400.08365 186.7
[M+Na-2H]- 362.04447 176.4
[M]+ 341.06925 181.1
[M]- 341.07035 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.