CID 94934

52808-36-3

Structural Information

Molecular Formula

C₅H₁₁ClO₂

SMILES

COCCOCCCl

InChI

InChI=1S/C5H11ClO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3

InChIKey

JIQXRLOYKOJECL-UHFFFAOYSA-N

Compound name

1-(2-chloroethoxy)-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 339
Patents: 138.04475 Da
Monoisotopic Mass: 0.4
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]+	139.05203	125.1
[M+Na]+	161.03397	133.6
[M-H]-	137.03747	125.4
[M+NH4]+	156.07857	148.0
[M+K]+	177.00791	132.4
[M+H-H2O]+	121.04201	121.7
[M+HCOO]-	183.04295	145.3
[M+CH3COO]-	197.05860	172.1
[M+Na-2H]-	159.01942	132.5
[M]+	138.04420	130.7
[M]-	138.04530	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe