CID 101012

59337-93-8

Structural Information

Molecular Formula

C₆H₇NO₄S₂

SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N

InChI

InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)

InChIKey

PMXNPOJHBQDJKS-UHFFFAOYSA-N

Compound name

methyl 3-sulfamoylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 111
Patents: 220.98164 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]+	221.98892	145.3
[M+Na]+	243.97086	154.3
[M-H]-	219.97436	148.9
[M+NH4]+	239.01546	165.3
[M+K]+	259.94480	151.3
[M+H-H2O]+	203.97890	140.2
[M+HCOO]-	265.97984	159.4
[M+CH3COO]-	279.99549	182.5
[M+Na-2H]-	241.95631	146.1
[M]+	220.98109	148.8
[M]-	220.98219	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe