CID 22140746

6-chloro-1-benzofuran-7-carboxylic acid

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1=CC(=C(C2=C1C=CO2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12)
InChIKey
BPHNVHYYTFDGHU-UHFFFAOYSA-N
Compound name
6-chloro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

195.99272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00000 133.5
[M+Na]+ 218.98194 148.1
[M+NH4]+ 214.02654 142.5
[M+K]+ 234.95588 144.0
[M-H]- 194.98544 136.4
[M+Na-2H]- 216.96739 139.6
[M]+ 195.99217 136.7
[M]- 195.99327 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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