CID 15481068

2-chloro-5h,7h-furo[3,4-b]pyridine-5,7-dione

Structural Information

Molecular Formula
C7H2ClNO3
SMILES
C1=CC(=NC2=C1C(=O)OC2=O)Cl
InChI
InChI=1S/C7H2ClNO3/c8-4-2-1-3-5(9-4)7(11)12-6(3)10/h1-2H
InChIKey
IGWQQTNBLBJBKQ-UHFFFAOYSA-N
Compound name
2-chlorofuro[3,4-b]pyridine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.97232 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97960 129.7
[M+Na]+ 205.96154 142.4
[M-H]- 181.96504 134.5
[M+NH4]+ 201.00614 151.2
[M+K]+ 221.93548 139.9
[M+H-H2O]+ 165.96958 125.2
[M+HCOO]- 227.97052 148.3
[M+CH3COO]- 241.98617 177.4
[M+Na-2H]- 203.94699 136.9
[M]+ 182.97177 134.1
[M]- 182.97287 134.1
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

patents stripe