CID 130674243

5-chlorofuro[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4ClNO3
SMILES
C1=C2C=C(OC2=NC=C1Cl)C(=O)O
InChI
InChI=1S/C8H4ClNO3/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKey
MJHJCHGVEQRDKB-UHFFFAOYSA-N
Compound name
5-chlorofuro[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.98798 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.995256 133.5
[M+Na]+ 219.977198 145.9
[M-H]- 195.980704 137.3
[M+NH4]+ 215.021803 153.7
[M+K]+ 235.951138 143.0
[M+H-H2O]+ 179.985240 128.8
[M+HCOO]- 241.986181 152.0
[M+CH3COO]- 256.001831 177.8
[M+Na-2H]- 217.962646 141.2
[M]+ 196.98743142 139.1
[M]- 196.98852858 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

No patent data available for this compound.