CID 284279

500585-16-0

Structural Information

Molecular Formula

C₆H₃F₂NO₄S

SMILES

C1=CC(=C(C=C1S(=O)(=O)F)[N+](=O)[O-])F

InChI

InChI=1S/C6H3F2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H

InChIKey

FETWBEYHAMXIHF-UHFFFAOYSA-N

Compound name

4-fluoro-3-nitrobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.97508 Da
Monoisotopic Mass: 1.6
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]+	223.98236	134.9
[M+Na]+	245.96430	144.5
[M-H]-	221.96780	137.0
[M+NH4]+	241.00890	152.8
[M+K]+	261.93824	137.7
[M+H-H2O]+	205.97234	132.4
[M+HCOO]-	267.97328	153.3
[M+CH3COO]-	281.98893	177.5
[M+Na-2H]-	243.94975	141.4
[M]+	222.97453	133.5
[M]-	222.97563	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe