CID 1714399

53723-88-9

Structural Information

Molecular Formula

C₄H₄N₂O₂S₃

SMILES

C(C(=O)O)SC1=NNC(=S)S1

InChI

InChI=1S/C4H4N2O2S3/c7-2(8)1-10-4-6-5-3(9)11-4/h1H2,(H,5,9)(H,7,8)

InChIKey

UJBXVTJYSIDCIE-UHFFFAOYSA-N

Compound name

2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 207.9435 Da
Monoisotopic Mass: 1.4
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]+	208.95078	140.1
[M+Na]+	230.93272	148.2
[M+NH4]+	225.97732	147.0
[M+K]+	246.90666	140.9
[M-H]-	206.93622	139.0
[M+Na-2H]-	228.91817	140.7
[M]+	207.94295	141.9
[M]-	207.94405	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe