CID 6436605

Diniconazole

Structural Information

Molecular Formula
C15H17Cl2N3O
SMILES
CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O
InChI
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
InChIKey
FBOUIAKEJMZPQG-AWNIVKPZSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

70
References

40500
Patents

325.07486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08214 173.6
[M+Na]+ 348.06408 182.2
[M-H]- 324.06758 174.7
[M+NH4]+ 343.10868 186.3
[M+K]+ 364.03802 175.5
[M+H-H2O]+ 308.07212 165.6
[M+HCOO]- 370.07306 179.9
[M+CH3COO]- 384.08871 202.7
[M+Na-2H]- 346.04953 173.9
[M]+ 325.07431 176.0
[M]- 325.07541 176.0
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.