CID 123251

2-chloroadamantane

Structural Information

Molecular Formula

C₁₀H₁₅Cl

SMILES

C1C2CC3CC1CC(C2)C3Cl

InChI

InChI=1S/C10H15Cl/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChIKey

DPCLLPAHJSYBTE-UHFFFAOYSA-N

Compound name

2-chloroadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 170.08623 Da
Monoisotopic Mass: 3.2
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]+	171.093506	137.5
[M+Na]+	193.075448	141.5
[M-H]-	169.078954	133.5
[M+NH4]+	188.120053	164.1
[M+K]+	209.049388	137.4
[M+H-H2O]+	153.083490	133.6
[M+HCOO]-	215.084431	141.6
[M+CH3COO]-	229.100081	147.6
[M+Na-2H]-	191.060896	147.8
[M]+	170.08568142	138.2
[M]-	170.08677858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe