CID 12388012

1,2-dichloro-1,2-dimethoxyethane

Structural Information

Molecular Formula

C₄H₈Cl₂O₂

SMILES

COC(C(OC)Cl)Cl

InChI

InChI=1S/C4H8Cl2O2/c1-7-3(5)4(6)8-2/h3-4H,1-2H3

InChIKey

TVRLVRWGJUVLQS-UHFFFAOYSA-N

Compound name

1,2-dichloro-1,2-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 157.99013 Da
Monoisotopic Mass: 1.4
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]+	158.997406	125.2
[M+Na]+	180.979348	134.0
[M-H]-	156.982854	125.4
[M+NH4]+	176.023953	147.5
[M+K]+	196.953288	132.2
[M+H-H2O]+	140.987390	123.1
[M+HCOO]-	202.988331	138.8
[M+CH3COO]-	217.003981	175.7
[M+Na-2H]-	178.964796	130.0
[M]+	157.98958142	130.0
[M]-	157.99067858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe