CID 13811532

23916-49-6

Structural Information

Molecular Formula

C₆H₁₀Cl₂O₂

SMILES

C1C(O1)COC(CCl)CCl

InChI

InChI=1S/C6H10Cl2O2/c7-1-5(2-8)9-3-6-4-10-6/h5-6H,1-4H2

InChIKey

FELQCBSJXXVATR-UHFFFAOYSA-N

Compound name

2-(1,3-dichloropropan-2-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.00578 Da
Monoisotopic Mass: 1.0
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]+	185.01306	131.6
[M+Na]+	206.99500	141.0
[M-H]-	182.99850	135.8
[M+NH4]+	202.03960	146.6
[M+K]+	222.96894	138.5
[M+H-H2O]+	167.00304	127.0
[M+HCOO]-	229.00398	144.8
[M+CH3COO]-	243.01963	182.4
[M+Na-2H]-	204.98045	137.9
[M]+	184.00523	139.0
[M]-	184.00633	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe