CID 10635698

143878-29-9

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₄

SMILES

CC(=O)NC1=C(C=C(C2=C1CCO2)C(=O)OC)Cl

InChI

InChI=1S/C12H12ClNO4/c1-6(15)14-10-7-3-4-18-11(7)8(5-9(10)13)12(16)17-2/h5H,3-4H2,1-2H3,(H,14,15)

InChIKey

LCPRNYGRYCDBOM-UHFFFAOYSA-N

Compound name

methyl 4-acetamido-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 269.04547 Da
Monoisotopic Mass: 1.6
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]+	270.05275	155.7
[M+Na]+	292.03469	166.6
[M+NH4]+	287.07929	162.9
[M+K]+	308.00863	163.8
[M-H]-	268.03819	157.8
[M+Na-2H]-	290.02014	158.3
[M]+	269.04492	157.8
[M]-	269.04602	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe