CID 617363

329210-07-3

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃

SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)N

InChI

InChI=1S/C11H10ClNO3/c1-2-15-11(14)10-9(13)7-5-6(12)3-4-8(7)16-10/h3-5H,2,13H2,1H3

InChIKey

VKKDUUXDTANQAJ-UHFFFAOYSA-N

Compound name

ethyl 3-amino-5-chloro-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 239.03493 Da
Monoisotopic Mass: 3.4
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]+	240.04221	149.3
[M+Na]+	262.02415	160.9
[M-H]-	238.02765	155.2
[M+NH4]+	257.06875	169.6
[M+K]+	277.99809	157.8
[M+H-H2O]+	222.03219	144.7
[M+HCOO]-	284.03313	169.9
[M+CH3COO]-	298.04878	191.5
[M+Na-2H]-	260.00960	154.4
[M]+	239.03438	156.0
[M]-	239.03548	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe