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]+ 225.031296 143.9
[M+Na]+ 247.013238 155.6
[M-H]- 223.016744 150.0
[M+NH4]+ 242.057843 165.1
[M+K]+ 262.987178 152.9
[M+H-H2O]+ 207.021280 139.5
[M+HCOO]- 269.022221 164.2
[M+CH3COO]- 283.037871 186.0
[M+Na-2H]- 244.998686 150.5
[M]+ 224.02347142 151.9
[M]- 224.02456858 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

literature stripe

Patent stripe

patents stripe