CID 71405930

870534-66-0

Structural Information

Molecular Formula

C₃HF₃N₂O₃S₂

SMILES

C1=NSN=C1OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3HF3N2O3S2/c4-3(5,6)13(9,10)11-2-1-7-12-8-2/h1H

InChIKey

SUNWQKIYPDHEEC-UHFFFAOYSA-N

Compound name

1,2,5-thiadiazol-3-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.93806 Da
Monoisotopic Mass: 1.5
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]+	234.94534	139.3
[M+Na]+	256.92728	150.5
[M-H]-	232.93078	137.2
[M+NH4]+	251.97188	156.8
[M+K]+	272.90122	147.7
[M+H-H2O]+	216.93532	131.4
[M+HCOO]-	278.93626	148.2
[M+CH3COO]-	292.95191	180.3
[M+Na-2H]-	254.91273	142.2
[M]+	233.93751	140.1
[M]-	233.93861	140.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.