CID 85810839

3-cyanobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₇H₄FNO₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)F)C#N

InChI

InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

XHDHNTIGKYTAGT-UHFFFAOYSA-N

Compound name

3-cyanobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.99467 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]+	186.00195	134.2
[M+Na]+	207.98389	145.5
[M+NH4]+	203.02849	138.4
[M+K]+	223.95783	135.5
[M-H]-	183.98739	126.7
[M+Na-2H]-	205.96934	137.6
[M]+	184.99412	133.2
[M]-	184.99522	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe