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: 517
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	154.9
[M+Na]+	329.94885	164.6
[M-H]-	305.95235	152.8
[M+NH4]+	324.99345	169.2
[M+K]+	345.92279	159.1
[M+H-H2O]+	289.95689	145.8
[M+HCOO]-	351.95783	161.9
[M+CH3COO]-	365.97348	196.9
[M+Na-2H]-	327.93430	157.9
[M]+	306.95908	152.1
[M]-	306.96018	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe