CID 20070433

Difenoconazole-alcohol

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)C(CN3C=NC=N3)O)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2
InChIKey
NBYSKMWDHCZSIP-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

21
Patents

349.03848 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04576 174.6
[M+Na]+ 372.02770 184.2
[M-H]- 348.03120 178.7
[M+NH4]+ 367.07230 185.7
[M+K]+ 388.00164 177.1
[M+H-H2O]+ 332.03574 164.7
[M+HCOO]- 394.03668 184.3
[M+CH3COO]- 408.05233 184.6
[M+Na-2H]- 370.01315 176.3
[M]+ 349.03793 178.7
[M]- 349.03903 178.7
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.