CID 85738095

Schembl8523490

Structural Information

Molecular Formula

C₂H₂F₅NO₄S₂

SMILES

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

InChI

InChI=1S/C2H2F5NO4S2/c3-1(4)13(9,10)8-14(11,12)2(5,6)7/h1,8H

InChIKey

BDYUNRHKDSIBEW-UHFFFAOYSA-N

Compound name

N-(difluoromethylsulfonyl)-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 262.93454 Da
Monoisotopic Mass: 1.1
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]+	263.94182	139.1
[M+Na]+	285.92376	147.3
[M-H]-	261.92726	132.7
[M+NH4]+	280.96836	154.8
[M+K]+	301.89770	143.9
[M+H-H2O]+	245.93180	129.9
[M+HCOO]-	307.93274	144.5
[M+CH3COO]-	321.94839	188.5
[M+Na-2H]-	283.90921	142.2
[M]+	262.93399	134.9
[M]-	262.93509	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe