CID 83735

13789-27-0

Structural Information

Molecular Formula

C₂H₃N₃O₃S

SMILES

C1=NNC(=N1)S(=O)(=O)O

InChI

InChI=1S/C2H3N3O3S/c6-9(7,8)2-3-1-4-5-2/h1H,(H,3,4,5)(H,6,7,8)

InChIKey

OWYWZFDZZRRXCR-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazole-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 148.98952 Da
Monoisotopic Mass: -0.9
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]+	149.99680	126.2
[M+Na]+	171.97874	136.8
[M-H]-	147.98224	124.3
[M+NH4]+	167.02334	144.3
[M+K]+	187.95268	134.5
[M+H-H2O]+	131.98678	120.5
[M+HCOO]-	193.98772	141.2
[M+CH3COO]-	208.00337	162.1
[M+Na-2H]-	169.96419	131.4
[M]+	148.98897	126.5
[M]-	148.99007	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe