CID 11041568

2,2-dichloro-1,3-benzodioxole

Structural Information

Molecular Formula

C₇H₄Cl₂O₂

SMILES

C1=CC=C2C(=C1)OC(O2)(Cl)Cl

InChI

InChI=1S/C7H4Cl2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H

InChIKey

NMNKOUVBELKKTR-UHFFFAOYSA-N

Compound name

2,2-dichloro-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 108
Patents: 189.95883 Da
Monoisotopic Mass: 3.0
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]+	190.96611	130.0
[M+Na]+	212.94805	145.1
[M+NH4]+	207.99265	141.8
[M+K]+	228.92199	138.1
[M-H]-	188.95155	135.0
[M+Na-2H]-	210.93350	137.6
[M]+	189.95828	134.5
[M]-	189.95938	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe