CID 82600794

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

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1C2=CC(=C(N=C2CO1)Cl)C#N
InChI
InChI=1S/C8H5ClN2O/c9-8-5(2-10)1-6-3-12-4-7(6)11-8/h1H,3-4H2
InChIKey
RYHUVKYOLCRBBA-UHFFFAOYSA-N
Compound name
2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01631 134.6
[M+Na]+ 202.99825 148.1
[M+NH4]+ 198.04285 140.6
[M+K]+ 218.97219 139.9
[M-H]- 179.00175 130.4
[M+Na-2H]- 200.98370 137.8
[M]+ 180.00848 134.8
[M]- 180.00958 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.