CID 53342910

899795-65-4

Structural Information

Molecular Formula
C11H9ClO3
SMILES
CCOC(=O)C1=COC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C11H9ClO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6H,2H2,1H3
InChIKey
CQHDKISUMTVOSI-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.02402 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 143.9
[M+Na]+ 247.01324 155.6
[M-H]- 223.01674 150.0
[M+NH4]+ 242.05784 165.1
[M+K]+ 262.98718 152.9
[M+H-H2O]+ 207.02128 139.5
[M+HCOO]- 269.02222 164.2
[M+CH3COO]- 283.03787 186.0
[M+Na-2H]- 244.99869 150.5
[M]+ 224.02347 151.9
[M]- 224.02457 151.9
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.