CID 7828

Oxydiethylene bis(chloroformate)

Structural Information

Molecular Formula

C₆H₈Cl₂O₅

SMILES

C(COC(=O)Cl)OCCOC(=O)Cl

InChI

InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2

InChIKey

XFSAZBKSWGOXRH-UHFFFAOYSA-N

Compound name

2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 998
Patents: 229.97488 Da
Monoisotopic Mass: 2.0
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]+	230.982156	138.6
[M+Na]+	252.964098	147.2
[M-H]-	228.967604	138.7
[M+NH4]+	248.008703	157.9
[M+K]+	268.938038	145.2
[M+H-H2O]+	212.972140	135.8
[M+HCOO]-	274.973081	152.8
[M+CH3COO]-	288.988731	184.3
[M+Na-2H]-	250.949546	142.7
[M]+	229.97433142	147.1
[M]-	229.97542858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe