CID 7230550

5-chloro-3-pyridinyl 2-furoate

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=COC(=C1)C(=O)OC2=CC(=CN=C2)Cl
InChI
InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
InChIKey
DWJOEJDGHVXXEB-UHFFFAOYSA-N
Compound name
(5-chloro-3-pyridinyl) furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

223.00362 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.010896 142.9
[M+Na]+ 245.992838 152.9
[M-H]- 221.996344 149.4
[M+NH4]+ 241.037443 160.9
[M+K]+ 261.966778 150.6
[M+H-H2O]+ 206.000880 136.4
[M+HCOO]- 268.001821 162.4
[M+CH3COO]- 282.017471 182.9
[M+Na-2H]- 243.978286 148.9
[M]+ 223.00307142 147.7
[M]- 223.00416858 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.