CID 165123008

2-chloro-5h,7h-furo[3,4-b]pyridin-5-one

Structural Information

Molecular Formula
C7H4ClNO2
SMILES
C1C2=C(C=CC(=N2)Cl)C(=O)O1
InChI
InChI=1S/C7H4ClNO2/c8-6-2-1-4-5(9-6)3-11-7(4)10/h1-2H,3H2
InChIKey
OFWJPUYVLGHHOW-UHFFFAOYSA-N
Compound name
2-chloro-7H-furo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.99306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.000336 128.4
[M+Na]+ 191.982278 140.0
[M-H]- 167.985784 132.7
[M+NH4]+ 187.026883 150.3
[M+K]+ 207.956218 137.5
[M+H-H2O]+ 151.990320 123.5
[M+HCOO]- 213.991261 146.5
[M+CH3COO]- 228.006911 143.5
[M+Na-2H]- 189.967726 136.2
[M]+ 168.99251142 131.6
[M]- 168.99360858 131.6
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