CID 83753354

7-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1C(C2=C(O1)C(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C9H7ClO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-3,6H,4H2,(H,11,12)
InChIKey
GKZRKBLDRBZQQF-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.00838 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 135.7
[M+Na]+ 220.99760 148.4
[M+NH4]+ 216.04220 144.6
[M+K]+ 236.97154 144.7
[M-H]- 197.00110 138.1
[M+Na-2H]- 218.98305 140.0
[M]+ 198.00783 138.3
[M]- 198.00893 138.3
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

patents stripe