CID 43233

Azaconazole

Structural Information

Molecular Formula
C12H11Cl2N3O2
SMILES
C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N
Compound name
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

35775
Patents

299.02283 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.030106 162.4
[M+Na]+ 322.012048 172.4
[M-H]- 298.015554 168.7
[M+NH4]+ 317.056653 177.0
[M+K]+ 337.985988 169.4
[M+H-H2O]+ 282.020090 153.6
[M+HCOO]- 344.021031 171.8
[M+CH3COO]- 358.036681 174.0
[M+Na-2H]- 319.997496 164.9
[M]+ 299.02228142 166.0
[M]- 299.02337858 166.0
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