CID 22833489

Dtxsid2024824

Structural Information

Molecular Formula

C₁₀H₁₆Cl₆

SMILES

CCC(C(C(CC(C(C(C)Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C10H16Cl6/c1-3-6(12)10(16)8(14)4-7(13)9(15)5(2)11/h5-10H,3-4H2,1-2H3

InChIKey

ZPSFPNSXYWWGRF-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8-hexachlorodecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 345.93832 Da
Monoisotopic Mass: 5.8
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]+	346.945596	168.3
[M+Na]+	368.927538	171.5
[M-H]-	344.931044	161.6
[M+NH4]+	363.972143	180.2
[M+K]+	384.901478	167.3
[M+H-H2O]+	328.935580	167.5
[M+HCOO]-	390.936521	155.6
[M+CH3COO]-	404.952171	215.3
[M+Na-2H]-	366.912986	160.8
[M]+	345.93777142	165.0
[M]-	345.93886858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.