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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.061416	170.8
[M+Na]+	350.043358	180.7
[M-H]-	326.046864	176.7
[M+NH4]+	345.087963	185.9
[M+K]+	366.017298	176.3
[M+H-H2O]+	310.051400	161.6
[M+HCOO]-	372.052341	180.5
[M+CH3COO]-	386.067991	181.8
[M+Na-2H]-	348.028806	171.3
[M]+	327.05359142	175.0
[M]-	327.05468858	175.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.