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]+ 181.016306 133.4
[M+Na]+ 202.998248 146.5
[M-H]- 179.001754 136.4
[M+NH4]+ 198.042853 152.6
[M+K]+ 218.972188 141.6
[M+H-H2O]+ 163.006290 121.3
[M+HCOO]- 225.007231 147.7
[M+CH3COO]- 239.022881 146.3
[M+Na-2H]- 200.983696 140.1
[M]+ 180.00848142 130.8
[M]- 180.00957858 130.8
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.