CID 132101787

3-cyanophenylfluoranesulfonate

Structural Information

Molecular Formula

C₇H₄FNO₃S

SMILES

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

InChI

InChI=1S/C7H4FNO3S/c8-13(10,11)12-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

VGORKFXDKAAZSL-UHFFFAOYSA-N

Compound name

1-cyano-3-fluorosulfonyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 200.9896 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]+	201.99688	142.6
[M+Na]+	223.97882	154.4
[M-H]-	199.98232	145.9
[M+NH4]+	219.02342	160.5
[M+K]+	239.95276	152.0
[M+H-H2O]+	183.98686	130.1
[M+HCOO]-	245.98780	157.7
[M+CH3COO]-	260.00345	191.4
[M+Na-2H]-	221.96427	147.2
[M]+	200.98905	140.2
[M]-	200.99015	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe