CID 165703383

En300-2005682

Structural Information

Molecular Formula

C₄H₆FN₃O₂S

SMILES

C1=NN(C=N1)CCS(=O)(=O)F

InChI

InChI=1S/C4H6FN3O2S/c5-11(9,10)2-1-8-4-6-3-7-8/h3-4H,1-2H2

InChIKey

YZCWROQFKCJKKL-UHFFFAOYSA-N

Compound name

2-(1,2,4-triazol-1-yl)ethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.01648 Da
Monoisotopic Mass: -0.1
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]+	180.02376	132.2
[M+Na]+	202.00570	143.0
[M-H]-	178.00920	131.3
[M+NH4]+	197.05030	150.6
[M+K]+	217.97964	141.2
[M+H-H2O]+	162.01374	124.7
[M+HCOO]-	224.01468	148.3
[M+CH3COO]-	238.03033	173.9
[M+Na-2H]-	199.99115	136.7
[M]+	179.01593	134.5
[M]-	179.01703	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.