CID 9819

402-36-8

Structural Information

Molecular Formula

C₇H₄FNO₃S

SMILES

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

InChI

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

InChIKey

MXNBVYUXLFKJKX-UHFFFAOYSA-N

Compound name

3-isocyanatobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 200.9896 Da
Monoisotopic Mass: 2.5
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]+	201.99688	139.6
[M+Na]+	223.97882	150.3
[M+NH4]+	219.02342	146.3
[M+K]+	239.95276	143.3
[M-H]-	199.98232	139.2
[M+Na-2H]-	221.96427	145.1
[M]+	200.98905	141.2
[M]-	200.99015	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe