CID 4962888

Methyl 3-(chlorosulfonyl)propanoate

Structural Information

Molecular Formula

C₄H₇ClO₄S

SMILES

COC(=O)CCS(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3

InChIKey

LWJZGJNMJBUUMC-UHFFFAOYSA-N

Compound name

methyl 3-chlorosulfonylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 385
Patents: 185.97536 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]+	186.98264	135.8
[M+Na]+	208.96458	145.3
[M+NH4]+	204.00918	142.5
[M+K]+	224.93852	139.8
[M-H]-	184.96808	133.0
[M+Na-2H]-	206.95003	137.8
[M]+	185.97481	136.8
[M]-	185.97591	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe