CID 12225101

Methyl 2-(chlorosulfonyl)propanoate

Structural Information

Molecular Formula

C₄H₇ClO₄S

SMILES

CC(C(=O)OC)S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO4S/c1-3(4(6)9-2)10(5,7)8/h3H,1-2H3

InChIKey

XRWIOZINKUGCQH-UHFFFAOYSA-N

Compound name

methyl 2-chlorosulfonylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 185.97536 Da
Monoisotopic Mass: 0.7
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	130.0
[M+Na]+	208.96458	139.1
[M-H]-	184.96808	131.4
[M+NH4]+	204.00918	151.2
[M+K]+	224.93852	137.7
[M+H-H2O]+	168.97262	127.2
[M+HCOO]-	230.97356	142.6
[M+CH3COO]-	244.98921	175.5
[M+Na-2H]-	206.95003	133.1
[M]+	185.97481	136.3
[M]-	185.97591	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe