CID 61658475

1247793-72-1

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1CS(=O)(=O)CC2=CC(=C(N=C21)Cl)C#N
InChI
InChI=1S/C9H7ClN2O2S/c10-9-6(4-11)3-7-5-15(13,14)2-1-8(7)12-9/h3H,1-2,5H2
InChIKey
TWNJXKWZTKTFTG-UHFFFAOYSA-N
Compound name
2-chloro-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99167 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99895 142.0
[M+Na]+ 264.98089 155.3
[M+NH4]+ 260.02549 148.7
[M+K]+ 280.95483 142.5
[M-H]- 240.98439 136.7
[M+Na-2H]- 262.96634 146.7
[M]+ 241.99112 142.4
[M]- 241.99222 142.4
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

No patent data available for this compound.