CID 86963

17134-17-7

Structural Information

Molecular Formula

C₈H₁₂Cl₂O₆

SMILES

C(COCCOC(=O)Cl)OCCOC(=O)Cl

InChI

InChI=1S/C8H12Cl2O6/c9-7(11)15-5-3-13-1-2-14-4-6-16-8(10)12/h1-6H2

InChIKey

IFOIGJKHVZBFPR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 488
Patents: 274.0011 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]+	275.00838	150.9
[M+Na]+	296.99032	159.9
[M+NH4]+	292.03492	156.0
[M+K]+	312.96426	155.8
[M-H]-	272.99382	147.3
[M+Na-2H]-	294.97577	152.2
[M]+	274.00055	151.2
[M]-	274.00165	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe