CID 13710181

82911-32-8

Structural Information

Molecular Formula
C6H10N2O3S4
SMILES
C(CCS(=O)(=O)O)CSC1=NNC(=S)S1
InChI
InChI=1S/C6H10N2O3S4/c9-15(10,11)4-2-1-3-13-6-8-7-5(12)14-6/h1-4H2,(H,7,12)(H,9,10,11)
InChIKey
ZKRYOFVBBRONKI-UHFFFAOYSA-N
Compound name
4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

285.95743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96471 160.7
[M+Na]+ 308.94665 169.7
[M-H]- 284.95015 157.3
[M+NH4]+ 303.99125 174.0
[M+K]+ 324.92059 159.8
[M+H-H2O]+ 268.95469 155.7
[M+HCOO]- 330.95563 158.6
[M+CH3COO]- 344.97128 189.1
[M+Na-2H]- 306.93210 159.8
[M]+ 285.95688 159.4
[M]- 285.95798 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe