CID 55279351

5-cyanofuran-2-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₂ClNO₃S

SMILES

C1=C(OC(=C1)S(=O)(=O)Cl)C#N

InChI

InChI=1S/C5H2ClNO3S/c6-11(8,9)5-2-1-4(3-7)10-5/h1-2H

InChIKey

VNBDOZRYYRXFQQ-UHFFFAOYSA-N

Compound name

5-cyanofuran-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 190.9444 Da
Monoisotopic Mass: 1.4
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]+	191.95168	131.3
[M+Na]+	213.93362	142.3
[M+NH4]+	208.97822	135.8
[M+K]+	229.90756	135.0
[M-H]-	189.93712	125.3
[M+Na-2H]-	211.91907	133.5
[M]+	190.94385	130.9
[M]-	190.94495	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe