CID 58591885

Schembl18218022

Structural Information

Molecular Formula

C₂HF₆NO₄S₂

SMILES

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

InChI

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

InChIKey

AHXNYDBSLAVPLY-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1052
Patents: 280.9251 Da
Monoisotopic Mass: 1.9
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]+	281.93238	142.8
[M+Na]+	303.91432	151.5
[M-H]-	279.91782	135.3
[M+NH4]+	298.95892	157.7
[M+K]+	319.88826	147.9
[M+H-H2O]+	263.92236	133.0
[M+HCOO]-	325.92330	146.8
[M+CH3COO]-	339.93895	189.9
[M+Na-2H]-	301.89977	147.5
[M]+	280.92455	136.9
[M]-	280.92565	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe