CID 82607543

1501220-44-5

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1C2=CC(=C(N=C2CO1)Cl)C(=O)O
InChI
InChI=1S/C8H6ClNO3/c9-7-5(8(11)12)1-4-2-13-3-6(4)10-7/h1H,2-3H2,(H,11,12)
InChIKey
XGBYEVXUTZAQPJ-UHFFFAOYSA-N
Compound name
2-chloro-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.00362 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.010896 136.4
[M+Na]+ 221.992838 146.7
[M-H]- 197.996344 139.4
[M+NH4]+ 217.037443 156.2
[M+K]+ 237.966778 144.2
[M+H-H2O]+ 182.000880 131.7
[M+HCOO]- 244.001821 152.0
[M+CH3COO]- 258.017471 178.3
[M+Na-2H]- 219.978286 142.1
[M]+ 199.00307142 139.1
[M]- 199.00416858 139.1
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