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: 16
Patents: 224.02402 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.03130	142.3
[M+Na]+	247.01324	157.0
[M+NH4]+	242.05784	151.4
[M+K]+	262.98718	152.1
[M-H]-	223.01674	145.6
[M+Na-2H]-	244.99869	148.4
[M]+	224.02347	145.7
[M]-	224.02457	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe