CID 177546107

2-dechloro-desdioxolane difenoconazole

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C=C2)CCN3C=NC=N3)Cl
InChI
InChI=1S/C16H14ClN3O/c17-16-10-15(21-14-4-2-1-3-5-14)7-6-13(16)8-9-20-12-18-11-19-20/h1-7,10-12H,8-9H2
InChIKey
WBZYVDBSFXDGGJ-UHFFFAOYSA-N
Compound name
1-[2-(2-chloro-4-phenoxyphenyl)ethyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.08255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08983 167.1
[M+Na]+ 322.07177 176.5
[M-H]- 298.07527 172.7
[M+NH4]+ 317.11637 180.3
[M+K]+ 338.04571 169.9
[M+H-H2O]+ 282.07981 156.3
[M+HCOO]- 344.08075 184.2
[M+CH3COO]- 358.09640 178.4
[M+Na-2H]- 320.05722 171.5
[M]+ 299.08200 170.6
[M]- 299.08310 170.6
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

No patent data available for this compound.