CID 31282

1,2-bis((chlorocarbonyl)oxy)ethane

Structural Information

Molecular Formula

C₄H₄Cl₂O₄

SMILES

C(COC(=O)Cl)OC(=O)Cl

InChI

InChI=1S/C4H4Cl2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2

InChIKey

FMACOGSACRRIMK-UHFFFAOYSA-N

Compound name

2-carbonochloridoyloxyethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 460
Patents: 185.94867 Da
Monoisotopic Mass: 2.1
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]+	186.955946	127.4
[M+Na]+	208.937888	136.8
[M-H]-	184.941394	127.8
[M+NH4]+	203.982493	148.5
[M+K]+	224.911828	134.9
[M+H-H2O]+	168.945930	125.2
[M+HCOO]-	230.946871	142.0
[M+CH3COO]-	244.962521	176.4
[M+Na-2H]-	206.923336	132.4
[M]+	185.94812142	133.7
[M]-	185.94921858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe