CID 14835940

84030-04-6

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

C1C(OC2=CC=CC=C2O1)CCCl

InChI

InChI=1S/C10H11ClO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5-7H2

InChIKey

PUZFWZPNWKLEFZ-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 198.04475 Da
Monoisotopic Mass: 2.7
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]+	199.052026	138.9
[M+Na]+	221.033968	147.1
[M-H]-	197.037474	144.2
[M+NH4]+	216.078573	157.5
[M+K]+	237.007908	145.8
[M+H-H2O]+	181.042010	133.8
[M+HCOO]-	243.042951	154.1
[M+CH3COO]-	257.058601	152.4
[M+Na-2H]-	219.019416	148.3
[M]+	198.04420142	141.6
[M]-	198.04529858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe