CID 25139897

928139-30-4

Structural Information

Molecular Formula

C₇H₅FN₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C#N)F

InChI

InChI=1S/C7H5FN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12)

InChIKey

HVKUPIBRYPDOBG-UHFFFAOYSA-N

Compound name

3-cyano-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 200.00557 Da
Monoisotopic Mass: 0.3
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]+	201.01285	145.1
[M+Na]+	222.99479	156.6
[M-H]-	198.99829	148.0
[M+NH4]+	218.03939	162.5
[M+K]+	238.96873	153.6
[M+H-H2O]+	183.00283	132.5
[M+HCOO]-	245.00377	160.0
[M+CH3COO]-	259.01942	194.4
[M+Na-2H]-	220.98024	148.2
[M]+	200.00502	139.9
[M]-	200.00612	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe