CID 138392009

2138135-57-4

Structural Information

Molecular Formula

C₇H₃F₂NO₂S

SMILES

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

InChI

InChI=1S/C7H3F2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H

InChIKey

ZIFVVJPZORGMMY-UHFFFAOYSA-N

Compound name

3-cyano-4-fluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.98526 Da
Monoisotopic Mass: 1.5
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]+	203.992536	139.7
[M+Na]+	225.974478	152.3
[M-H]-	201.977984	142.1
[M+NH4]+	221.019083	157.7
[M+K]+	241.948418	149.2
[M+H-H2O]+	185.982520	126.7
[M+HCOO]-	247.983461	153.7
[M+CH3COO]-	261.999111	193.0
[M+Na-2H]-	223.959926	143.3
[M]+	202.98471142	135.4
[M]-	202.98580858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe