CID 54491532

2h-1,2,3-triazole-4-sulfonyl fluoride hydrofluoride

Structural Information

Molecular Formula

C₂H₂FN₃O₂S

SMILES

C1=NNN=C1S(=O)(=O)F

InChI

InChI=1S/C2H2FN3O2S/c3-9(7,8)2-1-4-6-5-2/h1H,(H,4,5,6)

InChIKey

XWBNUYCGGQURAZ-UHFFFAOYSA-N

Compound name

2H-triazole-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 150.98517 Da
Monoisotopic Mass: -0.3
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]+	151.992446	124.0
[M+Na]+	173.974388	135.2
[M-H]-	149.977894	122.0
[M+NH4]+	169.018993	142.8
[M+K]+	189.948328	133.0
[M+H-H2O]+	133.982430	117.1
[M+HCOO]-	195.983371	139.2
[M+CH3COO]-	209.999021	165.3
[M+Na-2H]-	171.959836	129.0
[M]+	150.98462142	123.7
[M]-	150.98571858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe