CID 65668858

5,7-dichloro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C9H4Cl2O3
SMILES
C1=C(C=C(C2=C1C(=CO2)C(=O)O)Cl)Cl
InChI
InChI=1S/C9H4Cl2O3/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3H,(H,12,13)
InChIKey
OYVRMSKRNHDZMZ-UHFFFAOYSA-N
Compound name
5,7-dichloro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.95375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96103 139.6
[M+Na]+ 252.94297 154.9
[M+NH4]+ 247.98757 148.6
[M+K]+ 268.91691 150.3
[M-H]- 228.94647 142.3
[M+Na-2H]- 250.92842 145.4
[M]+ 229.95320 143.2
[M]- 229.95430 143.2
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.