CID 12593671

Methyl 4-(chlorosulfonyl)thiophene-3-carboxylate

Structural Information

Molecular Formula

C₆H₅ClO₄S₂

SMILES

COC(=O)C1=CSC=C1S(=O)(=O)Cl

InChI

InChI=1S/C6H5ClO4S2/c1-11-6(8)4-2-12-3-5(4)13(7,9)10/h2-3H,1H3

InChIKey

MRFIBCNQYJJOPN-UHFFFAOYSA-N

Compound name

methyl 4-chlorosulfonylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 239.93178 Da
Monoisotopic Mass: 1.5
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]+	240.93906	150.8
[M+Na]+	262.92100	160.3
[M+NH4]+	257.96560	158.2
[M+K]+	278.89494	154.1
[M-H]-	238.92450	150.0
[M+Na-2H]-	260.90645	153.1
[M]+	239.93123	152.9
[M]-	239.93233	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe