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

1
Patents

199.00362 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 136.4
[M+Na]+ 221.99284 146.7
[M-H]- 197.99634 139.4
[M+NH4]+ 217.03744 156.2
[M+K]+ 237.96678 144.2
[M+H-H2O]+ 182.00088 131.7
[M+HCOO]- 244.00182 152.0
[M+CH3COO]- 258.01747 178.3
[M+Na-2H]- 219.97829 142.1
[M]+ 199.00307 139.1
[M]- 199.00417 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