CID 157857

82113-65-3

Structural Information

Molecular Formula

C₂HF₆NO₄S₂

SMILES

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

InChI

InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H

InChIKey

ZXMGHDIOOHOAAE-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 162
References: 88786
Patents: 280.9251 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]+	281.932376	142.6
[M+Na]+	303.914318	151.3
[M-H]-	279.917824	135.1
[M+NH4]+	298.958923	157.5
[M+K]+	319.888258	147.6
[M+H-H2O]+	263.922360	132.8
[M+HCOO]-	325.923301	146.6
[M+CH3COO]-	339.938951	190.5
[M+Na-2H]-	301.899766	147.3
[M]+	280.92455142	136.8
[M]-	280.92564858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe