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

4
Patents

198.00838 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.015656 137.1
[M+Na]+ 220.997598 147.0
[M-H]- 197.001104 141.4
[M+NH4]+ 216.042203 158.3
[M+K]+ 236.971538 144.2
[M+H-H2O]+ 181.005640 133.4
[M+HCOO]- 243.006581 153.7
[M+CH3COO]- 257.022231 178.7
[M+Na-2H]- 218.983046 142.5
[M]+ 198.00783142 139.6
[M]- 198.00892858 139.6
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