CID 95345

1,1'-oxybis(2-chloroethanol)

Structural Information

Molecular Formula

C₄H₈Cl₂O₃

SMILES

C(C(O)OC(CCl)O)Cl

InChI

InChI=1S/C4H8Cl2O3/c5-1-3(7)9-4(8)2-6/h3-4,7-8H,1-2H2

InChIKey

ZSHRTYLLCDMOML-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-chloro-1-hydroxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.98505 Da
Monoisotopic Mass: 0.2
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]+	174.99233	128.3
[M+Na]+	196.97427	136.2
[M-H]-	172.97777	125.7
[M+NH4]+	192.01887	148.4
[M+K]+	212.94821	133.1
[M+H-H2O]+	156.98231	126.6
[M+HCOO]-	218.98325	139.2
[M+CH3COO]-	232.99890	172.4
[M+Na-2H]-	194.95972	132.1
[M]+	173.98450	130.8
[M]-	173.98560	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe