CID 3063613

101221-50-5

Structural Information

Molecular Formula

C₁₂H₁₅Cl₂NO₃

SMILES

CN(CCO)CC1COC2=CC(=C(C=C2O1)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO3/c1-15(2-3-16)6-8-7-17-11-4-9(13)10(14)5-12(11)18-8/h4-5,8,16H,2-3,6-7H2,1H3

InChIKey

SGVZSLQLULUCLN-UHFFFAOYSA-N

Compound name

2-[(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.0429 Da
Monoisotopic Mass: 2.3
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]+	292.050176	163.3
[M+Na]+	314.032118	171.5
[M-H]-	290.035624	168.2
[M+NH4]+	309.076723	178.7
[M+K]+	330.006058	169.3
[M+H-H2O]+	274.040160	158.4
[M+HCOO]-	336.041101	172.9
[M+CH3COO]-	350.056751	202.3
[M+Na-2H]-	312.017566	168.4
[M]+	291.04235142	168.8
[M]-	291.04344858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.