CID 138991340

2309463-90-7

Structural Information

Molecular Formula
C9H8ClNO4S
SMILES
C1CS(=O)(=O)CC2=CC(=C(N=C21)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO4S/c10-8-6(9(12)13)3-5-4-16(14,15)2-1-7(5)11-8/h3H,1-2,4H2,(H,12,13)
InChIKey
AUSABXKXODNCGK-UHFFFAOYSA-N
Compound name
2-chloro-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99355 149.5
[M+Na]+ 283.97549 162.0
[M+NH4]+ 279.02009 158.4
[M+K]+ 299.94943 153.1
[M-H]- 259.97899 149.6
[M+Na-2H]- 281.96094 155.0
[M]+ 260.98572 152.1
[M]- 260.98682 152.1
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.