CID 91079068

Cga-118244

Structural Information

Molecular Formula

C₁₅H₁₇Cl₂N₃O₃

SMILES

CC(CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C15H17Cl2N3O3/c1-10(21)4-12-6-22-15(23-12,7-20-9-18-8-19-20)13-3-2-11(16)5-14(13)17/h2-3,5,8-10,12,21H,4,6-7H2,1H3

InChIKey

ACQHZORIRZCPLG-UHFFFAOYSA-N

Compound name

1-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 357.0647 Da
Monoisotopic Mass: 2.2
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]+	358.071976	177.8
[M+Na]+	380.053918	186.5
[M-H]-	356.057424	183.1
[M+NH4]+	375.098523	189.7
[M+K]+	396.027858	183.1
[M+H-H2O]+	340.061960	169.6
[M+HCOO]-	402.062901	184.1
[M+CH3COO]-	416.078551	187.7
[M+Na-2H]-	378.039366	177.1
[M]+	357.06415142	182.1
[M]-	357.06524858	182.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.