CID 14536918

Schembl120712

Structural Information

Molecular Formula

C₇H₆F₃NO₄S₂

SMILES

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

InChI

InChI=1S/C7H6F3NO4S2/c8-7(9,10)17(14,15)11-16(12,13)6-4-2-1-3-5-6/h1-5,11H

InChIKey

BBILYDOPONQIIQ-UHFFFAOYSA-N

Compound name

N-(trifluoromethylsulfonyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 288.96902 Da
Monoisotopic Mass: 1.7
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]+	289.97630	154.0
[M+Na]+	311.95824	162.4
[M-H]-	287.96174	153.3
[M+NH4]+	307.00284	169.0
[M+K]+	327.93218	157.6
[M+H-H2O]+	271.96628	145.4
[M+HCOO]-	333.96722	162.8
[M+CH3COO]-	347.98287	192.3
[M+Na-2H]-	309.94369	159.6
[M]+	288.96847	152.6
[M]-	288.96957	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe