CID 129925430

871884-79-6

Structural Information

Molecular Formula
C7H5NO4S
SMILES
C1=C(NC(=CC1=S)C(=O)O)C(=O)O
InChI
InChI=1S/C7H5NO4S/c9-6(10)4-1-3(13)2-5(8-4)7(11)12/h1-2H,(H,8,13)(H,9,10)(H,11,12)
InChIKey
ZYCAMEYAPIZEIQ-UHFFFAOYSA-N
Compound name
4-sulfanylidene-1H-pyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.99393 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00121 139.5
[M+Na]+ 221.98315 149.5
[M+NH4]+ 217.02775 145.0
[M+K]+ 237.95709 144.9
[M-H]- 197.98665 137.5
[M+Na-2H]- 219.96860 142.1
[M]+ 198.99338 140.3
[M]- 198.99448 140.3
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

No patent data available for this compound.