CID 71683202

Oxan-4-ylmethyl chloroformate

Structural Information

Molecular Formula

C₇H₁₁ClO₃

SMILES

C1COCCC1COC(=O)Cl

InChI

InChI=1S/C7H11ClO3/c8-7(9)11-5-6-1-3-10-4-2-6/h6H,1-5H2

InChIKey

RTLJEJIZQVVBJA-UHFFFAOYSA-N

Compound name

oxan-4-ylmethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.03967 Da
Monoisotopic Mass: 1.8
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]+	179.04695	133.8
[M+Na]+	201.02889	144.9
[M+NH4]+	196.07349	142.3
[M+K]+	217.00283	139.7
[M-H]-	177.03239	136.1
[M+Na-2H]-	199.01434	138.3
[M]+	178.03912	136.1
[M]-	178.04022	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.