CID 11148664

606129-60-6

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

C1C(CN1)OC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2

InChIKey

MRTKDTHRKQRAKJ-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenoxy)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 217.00612 Da
Monoisotopic Mass: 2.6
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]+	218.013396	132.7
[M+Na]+	239.995338	141.6
[M-H]-	215.998844	135.7
[M+NH4]+	235.039943	144.6
[M+K]+	255.969278	138.8
[M+H-H2O]+	200.003380	122.8
[M+HCOO]-	262.004321	143.8
[M+CH3COO]-	276.019971	185.7
[M+Na-2H]-	237.980786	138.2
[M]+	217.00557142	142.1
[M]-	217.00666858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe