CID 22833490

Refchem:1094310

Structural Information

Molecular Formula

C₂₄H₄₃Cl₇

SMILES

CC(CCCC(CCCC(CCCC(CCCC(CCCC(CCCl)Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C24H43Cl7/c1-19(26)7-2-8-20(27)9-3-10-21(28)11-4-12-22(29)13-5-14-23(30)15-6-16-24(31)17-18-25/h19-24H,2-18H2,1H3

InChIKey

FHKUUILMHIOLID-UHFFFAOYSA-N

Compound name

1,3,7,11,15,19,23-heptachlorotetracosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 576.11847 Da
Monoisotopic Mass: 10.8
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]+	577.125746	227.5
[M+Na]+	599.107688	225.3
[M-H]-	575.111194	217.1
[M+NH4]+	594.152293	231.1
[M+K]+	615.081628	219.2
[M+H-H2O]+	559.115730	224.3
[M+HCOO]-	621.116671	207.2
[M+CH3COO]-	635.132321	250.0
[M+Na-2H]-	597.093136	212.5
[M]+	576.11792142	225.5
[M]-	576.11901858	225.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.