CID 99939044

1640262-06-1

Structural Information

Molecular Formula

C₆H₂F₄O₂S

SMILES

C1=CC(=C(C(=C1F)F)F)S(=O)(=O)F

InChI

InChI=1S/C6H2F4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H

InChIKey

QSTVOESYDQCSJJ-UHFFFAOYSA-N

Compound name

2,3,4-trifluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.97116 Da
Monoisotopic Mass: 2.0
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]+	214.97844	130.3
[M+Na]+	236.96038	142.6
[M-H]-	212.96388	130.2
[M+NH4]+	232.00498	149.9
[M+K]+	252.93432	138.9
[M+H-H2O]+	196.96842	122.1
[M+HCOO]-	258.96936	145.4
[M+CH3COO]-	272.98501	183.4
[M+Na-2H]-	234.94583	133.1
[M]+	213.97061	128.7
[M]-	213.97171	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe