CID 28909773

57329-17-6

Structural Information

Molecular Formula

C₁₀H₇ClO₃

SMILES

C1=CC2=C(C=C1Cl)C=C(O2)CC(=O)O

InChI

InChI=1S/C10H7ClO3/c11-7-1-2-9-6(3-7)4-8(14-9)5-10(12)13/h1-4H,5H2,(H,12,13)

InChIKey

NULLDEMRVPOVOV-UHFFFAOYSA-N

Compound name

2-(5-chloro-1-benzofuran-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 210.00838 Da
Monoisotopic Mass: 2.5
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]+	211.01566	138.2
[M+Na]+	232.99760	152.6
[M+NH4]+	228.04220	147.0
[M+K]+	248.97154	148.2
[M-H]-	209.00110	141.0
[M+Na-2H]-	230.98305	144.0
[M]+	210.00783	141.3
[M]-	210.00893	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe