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 140.5
[M+Na]+ 252.94297 153.7
[M-H]- 228.94647 145.2
[M+NH4]+ 247.98757 161.4
[M+K]+ 268.91691 149.3
[M+H-H2O]+ 212.95101 137.7
[M+HCOO]- 274.95195 154.8
[M+CH3COO]- 288.96760 184.0
[M+Na-2H]- 250.92842 146.3
[M]+ 229.95320 147.5
[M]- 229.95430 147.5
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.