CID 68461977

1003858-77-2

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

C1=CC2=C(C=CO2)C=C1OCCCl

InChI

InChI=1S/C10H9ClO2/c11-4-6-12-9-1-2-10-8(7-9)3-5-13-10/h1-3,5,7H,4,6H2

InChIKey

SLBFBKCAUZIXKD-UHFFFAOYSA-N

Compound name

5-(2-chloroethoxy)-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 196.02911 Da
Monoisotopic Mass: 2.9
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]+	197.036386	137.0
[M+Na]+	219.018328	148.2
[M-H]-	195.021834	142.7
[M+NH4]+	214.062933	159.2
[M+K]+	234.992268	145.3
[M+H-H2O]+	179.026370	132.4
[M+HCOO]-	241.027311	158.2
[M+CH3COO]-	255.042961	180.4
[M+Na-2H]-	217.003776	145.9
[M]+	196.02856142	144.1
[M]-	196.02965858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe