CID 584814

2,4-methano-1h-indene, 4-chlorooctahydro-

Structural Information

Molecular Formula

C₁₀H₁₅Cl

SMILES

C1CC2CC3CC2C(C1)(C3)Cl

InChI

InChI=1S/C10H15Cl/c11-10-3-1-2-8-4-7(6-10)5-9(8)10/h7-9H,1-6H2

InChIKey

GNUXBPXWPFJHHK-UHFFFAOYSA-N

Compound name

3-chlorotricyclo[5.2.1.03,8]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.08623 Da
Monoisotopic Mass: 3.3
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	141.3
[M+Na]+	193.075448	148.9
[M-H]-	169.078954	143.7
[M+NH4]+	188.120053	170.7
[M+K]+	209.049388	144.0
[M+H-H2O]+	153.083490	137.7
[M+HCOO]-	215.084431	154.6
[M+CH3COO]-	229.100081	154.1
[M+Na-2H]-	191.060896	145.3
[M]+	170.08568142	139.3
[M]-	170.08677858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.