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 149.4
[M+Na]+ 264.98089 163.5
[M-H]- 240.98439 153.3
[M+NH4]+ 260.02549 168.6
[M+K]+ 280.95483 156.9
[M+H-H2O]+ 224.98893 138.8
[M+HCOO]- 286.98987 158.3
[M+CH3COO]- 301.00552 161.3
[M+Na-2H]- 262.96634 154.4
[M]+ 241.99112 147.7
[M]- 241.99222 147.7
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.