CID 259263

63142-83-6

Structural Information

Molecular Formula

C₁₀H₁₅Cl₂NO

SMILES

C1CC2CCC1CN(C2)C(=O)C(Cl)Cl

InChI

InChI=1S/C10H15Cl2NO/c11-9(12)10(14)13-5-7-1-2-8(6-13)4-3-7/h7-9H,1-6H2

InChIKey

MGIDGMIMHMSHHR-UHFFFAOYSA-N

Compound name

1-(3-azabicyclo[3.2.2]nonan-3-yl)-2,2-dichloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 235.05307 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]+	236.060346	151.8
[M+Na]+	258.042288	162.6
[M-H]-	234.045794	151.2
[M+NH4]+	253.086893	172.1
[M+K]+	274.016228	158.6
[M+H-H2O]+	218.050330	151.7
[M+HCOO]-	280.051271	154.9
[M+CH3COO]-	294.066921	161.5
[M+Na-2H]-	256.027736	159.5
[M]+	235.05252142	151.6
[M]-	235.05361858	151.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.