CID 25058452

1027345-08-9

Structural Information

Molecular Formula

C₇H₅F₄NO₄S₂

SMILES

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

InChI

InChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)

InChIKey

JOESWBMGEGYULU-UHFFFAOYSA-N

Compound name

4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 503
Patents: 306.95963 Da
Monoisotopic Mass: 1.3
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]+	307.96691	169.6
[M+Na]+	329.94885	173.9
[M+NH4]+	324.99345	171.8
[M+K]+	345.92279	169.2
[M-H]-	305.95235	162.9
[M+Na-2H]-	327.93430	169.4
[M]+	306.95908	168.6
[M]-	306.96018	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe