CID 334400

5-chloro-2-adamantanone

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

C1C2CC3CC(C2)(CC1C3=O)Cl

InChI

InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

InChIKey

JPEOUSFBWXVGFX-UHFFFAOYSA-N

Compound name

5-chloroadamantan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 168
Patents: 184.06549 Da
Monoisotopic Mass: 1.8
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]+	185.07277	140.2
[M+Na]+	207.05471	145.6
[M-H]-	183.05821	136.4
[M+NH4]+	202.09931	168.1
[M+K]+	223.02865	141.2
[M+H-H2O]+	167.06275	136.0
[M+HCOO]-	229.06369	144.5
[M+CH3COO]-	243.07934	150.5
[M+Na-2H]-	205.04016	151.4
[M]+	184.06494	141.9
[M]-	184.06604	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe