CID 11064160

105292-71-5

Structural Information

Molecular Formula

C₈H₁₅ClO₅

SMILES

COCCOCCOCCOC(=O)Cl

InChI

InChI=1S/C8H15ClO5/c1-11-2-3-12-4-5-13-6-7-14-8(9)10/h2-7H2,1H3

InChIKey

LSJKXCRCOZGBPX-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 226.0608 Da
Monoisotopic Mass: 0.7
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]+	227.06808	145.1
[M+Na]+	249.05002	152.3
[M-H]-	225.05352	145.1
[M+NH4]+	244.09462	164.2
[M+K]+	265.02396	151.7
[M+H-H2O]+	209.05806	140.7
[M+HCOO]-	271.05900	164.3
[M+CH3COO]-	285.07465	186.2
[M+Na-2H]-	247.03547	149.8
[M]+	226.06025	154.9
[M]-	226.06135	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe