CID 122163207

2-cyanothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₂ClNO₂S₂

SMILES

C1=CSC(=C1S(=O)(=O)Cl)C#N

InChI

InChI=1S/C5H2ClNO2S2/c6-11(8,9)5-1-2-10-4(5)3-7/h1-2H

InChIKey

YURSIUBIVFZXCZ-UHFFFAOYSA-N

Compound name

2-cyanothiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.92155 Da
Monoisotopic Mass: 1.7
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]+	207.928826	152.6
[M+Na]+	229.910768	166.4
[M-H]-	205.914274	158.2
[M+NH4]+	224.955373	173.2
[M+K]+	245.884708	162.0
[M+H-H2O]+	189.918810	142.7
[M+HCOO]-	251.919751	160.3
[M+CH3COO]-	265.935401	189.6
[M+Na-2H]-	227.896216	153.6
[M]+	206.92100142	152.6
[M]-	206.92209858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.