CID 139596917

Dtxsid901028755

Structural Information

Molecular Formula
C14H15Cl2N3O2
SMILES
COC1CC(OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H15Cl2N3O2/c1-20-11-5-14(21-6-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3
InChIKey
RIXUGPAKVXWUMT-UHFFFAOYSA-N
Compound name
1-[[2-(2,4-dichlorophenyl)-4-methoxyoxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

327.05414 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06142 170.8
[M+Na]+ 350.04336 180.7
[M-H]- 326.04686 176.7
[M+NH4]+ 345.08796 185.9
[M+K]+ 366.01730 176.3
[M+H-H2O]+ 310.05140 161.6
[M+HCOO]- 372.05234 180.5
[M+CH3COO]- 386.06799 181.8
[M+Na-2H]- 348.02881 171.3
[M]+ 327.05359 175.0
[M]- 327.05469 175.0
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

No patent data available for this compound.