CID 137698803

2093304-41-5

Structural Information

Molecular Formula

C₆H₅FO₂S₂

SMILES

C1=CSC(=C1)/C=C/S(=O)(=O)F

InChI

InChI=1S/C6H5FO2S2/c7-11(8,9)5-3-6-2-1-4-10-6/h1-5H/b5-3+

InChIKey

PIAAYSCPDYWORX-HWKANZROSA-N

Compound name

(E)-2-thiophen-2-ylethenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 191.9715 Da
Monoisotopic Mass: 1.9
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]+	192.978776	136.7
[M+Na]+	214.960718	147.0
[M-H]-	190.964224	139.6
[M+NH4]+	210.005323	158.7
[M+K]+	230.934658	142.9
[M+H-H2O]+	174.968760	131.3
[M+HCOO]-	236.969701	150.4
[M+CH3COO]-	250.985351	175.1
[M+Na-2H]-	212.946166	138.1
[M]+	191.97095142	138.5
[M]-	191.97204858	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.