CID 15150045

2-(chloroethylsulfonyl)ethanol 2hcl

Structural Information

Molecular Formula

C₄H₉ClO₃S

SMILES

C(CS(=O)(=O)CCCl)O

InChI

InChI=1S/C4H9ClO3S/c5-1-3-9(7,8)4-2-6/h6H,1-4H2

InChIKey

BHNPGEXKAVUJQR-UHFFFAOYSA-N

Compound name

2-(2-chloroethylsulfonyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 171.9961 Da
Monoisotopic Mass: -0.5
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]+	173.003376	130.0
[M+Na]+	194.985318	139.0
[M-H]-	170.988824	129.7
[M+NH4]+	190.029923	151.1
[M+K]+	210.959258	135.7
[M+H-H2O]+	154.993360	127.2
[M+HCOO]-	216.994301	142.6
[M+CH3COO]-	231.009951	170.8
[M+Na-2H]-	192.970766	134.4
[M]+	171.99555142	134.7
[M]-	171.99664858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe