CID 24209069

882865-38-5

Structural Information

Molecular Formula
C11H7NO2S
SMILES
C1C(=O)C2=C(C3=CC=CC=C3S2)NC1=O
InChI
InChI=1S/C11H7NO2S/c13-7-5-9(14)12-10-6-3-1-2-4-8(6)15-11(7)10/h1-4H,5H2,(H,12,14)
InChIKey
LKZZYKSQYDWOPN-UHFFFAOYSA-N
Compound name
1H-[1]benzothiolo[3,2-b]pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.01974 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02702 141.8
[M+Na]+ 240.00896 153.5
[M-H]- 216.01246 145.6
[M+NH4]+ 235.05356 163.4
[M+K]+ 255.98290 148.2
[M+H-H2O]+ 200.01700 136.9
[M+HCOO]- 262.01794 157.9
[M+CH3COO]- 276.03359 155.4
[M+Na-2H]- 237.99441 146.4
[M]+ 217.01919 143.5
[M]- 217.02029 143.5
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.