CID 84029071

6-chloro-5-methoxy-1,3-dihydro-2-benzofuran-4-carboxylic acid

Structural Information

Molecular Formula
C10H9ClO4
SMILES
COC1=C(C=C2COCC2=C1C(=O)O)Cl
InChI
InChI=1S/C10H9ClO4/c1-14-9-7(11)2-5-3-15-4-6(5)8(9)10(12)13/h2H,3-4H2,1H3,(H,12,13)
InChIKey
ZIBIRUDLMPZZMG-UHFFFAOYSA-N
Compound name
6-chloro-5-methoxy-1,3-dihydro-2-benzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01894 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02622 143.9
[M+Na]+ 251.00816 154.2
[M-H]- 227.01166 148.5
[M+NH4]+ 246.05276 164.2
[M+K]+ 266.98210 151.8
[M+H-H2O]+ 211.01620 140.3
[M+HCOO]- 273.01714 160.4
[M+CH3COO]- 287.03279 185.1
[M+Na-2H]- 248.99361 148.3
[M]+ 228.01839 148.8
[M]- 228.01949 148.8
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.