CID 24478

Thiosulfuric acid

Structural Information

Molecular Formula

H₂O₃S₂

SMILES

OS(=O)(=S)O

InChI

InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)

InChIKey

DHCDFWKWKRSZHF-UHFFFAOYSA-N

Compound name

sulfurothioic O-acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3101
References: 118518
Patents: 113.944534 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]+	114.95181	115.9
[M+Na]+	136.93375	124.9
[M-H]-	112.93726	114.0
[M+NH4]+	131.97836	137.4
[M+K]+	152.90769	121.7
[M+H-H2O]+	96.941794	112.2
[M+HCOO]-	158.94274	126.5
[M+CH3COO]-	172.95838	157.6
[M+Na-2H]-	134.91920	119.3
[M]+	113.94399	116.0
[M]-	113.94508	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe