CID 121514188

2093304-11-9

Structural Information

Molecular Formula

C₈H₆F₂O₂S

SMILES

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

InChI

InChI=1S/C8H6F2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+

InChIKey

NHPUDAOXEBLXOM-AATRIKPKSA-N

Compound name

(E)-2-(4-fluorophenyl)ethenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 204.00566 Da
Monoisotopic Mass: 2.2
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]+	205.01294	135.3
[M+Na]+	226.99488	145.5
[M-H]-	202.99838	137.1
[M+NH4]+	222.03948	155.1
[M+K]+	242.96882	141.5
[M+H-H2O]+	187.00292	128.4
[M+HCOO]-	249.00386	152.3
[M+CH3COO]-	263.01951	179.9
[M+Na-2H]-	224.98033	139.5
[M]+	204.00511	135.4
[M]-	204.00621	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe