CID 121552276

1909358-76-4

Structural Information

Molecular Formula

C₄H₅ClO₄S

SMILES

COC(=O)/C=C/S(=O)(=O)Cl

InChI

InChI=1S/C4H5ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H,1H3/b3-2+

InChIKey

AUNIKAYCUXIJAK-NSCUHMNNSA-N

Compound name

methyl (E)-3-chlorosulfonylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 183.9597 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]+	184.966976	130.0
[M+Na]+	206.948918	139.8
[M-H]-	182.952424	131.4
[M+NH4]+	201.993523	151.3
[M+K]+	222.922858	137.2
[M+H-H2O]+	166.956960	127.1
[M+HCOO]-	228.957901	143.8
[M+CH3COO]-	242.973551	173.0
[M+Na-2H]-	204.934366	134.1
[M]+	183.95915142	136.0
[M]-	183.96024858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe