CID 2733374

4-fluorobenzenesulfonyl isocyanate

Structural Information

Molecular Formula

C₇H₄FNO₃S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)N=C=O

InChI

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

InChIKey

FHMRJRSOWRCSKA-UHFFFAOYSA-N

Compound name

4-fluoro-N-(oxomethylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 200.9896 Da
Monoisotopic Mass: 2.4
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]+	201.99688	134.9
[M+Na]+	223.97882	145.1
[M-H]-	199.98232	139.5
[M+NH4]+	219.02342	155.0
[M+K]+	239.95276	142.4
[M+H-H2O]+	183.98686	128.3
[M+HCOO]-	245.98780	156.1
[M+CH3COO]-	260.00345	182.7
[M+Na-2H]-	221.96427	141.2
[M]+	200.98905	137.5
[M]-	200.99015	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe