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-chloropyridin-3-yl) 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]+ 224.01090 142.9
[M+Na]+ 245.99284 152.9
[M-H]- 221.99634 149.4
[M+NH4]+ 241.03744 160.9
[M+K]+ 261.96678 150.6
[M+H-H2O]+ 206.00088 136.4
[M+HCOO]- 268.00182 162.4
[M+CH3COO]- 282.01747 182.9
[M+Na-2H]- 243.97829 148.9
[M]+ 223.00307 147.7
[M]- 223.00417 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.