CID 57430803

154641-99-3

Structural Information

Molecular Formula

C₇H₆F₂O₂S

SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)F

InChI

InChI=1S/C7H6F2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3

InChIKey

XWDHWUDZLAQVEN-UHFFFAOYSA-N

Compound name

4-fluoro-2-methylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.00566 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]+	193.01294	139.5
[M+Na]+	214.99488	150.4
[M+NH4]+	210.03948	146.5
[M+K]+	230.96882	143.4
[M-H]-	190.99838	137.9
[M+Na-2H]-	212.98033	144.1
[M]+	192.00511	140.9
[M]-	192.00621	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe