CID 56935811

5,6,8,9-tetrachloro-tetradecanoic acid

Structural Information

Molecular Formula
C14H24Cl4O2
SMILES
CCCCCC(C(CC(C(CCCC(=O)O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H24Cl4O2/c1-2-3-4-6-10(15)12(17)9-13(18)11(16)7-5-8-14(19)20/h10-13H,2-9H2,1H3,(H,19,20)
InChIKey
QHTKGYPZKJWJFA-UHFFFAOYSA-N
Compound name
5,6,8,9-tetrachlorotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.05304 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06032 176.2
[M+Na]+ 387.04226 180.0
[M-H]- 363.04576 171.6
[M+NH4]+ 382.08686 189.2
[M+K]+ 403.01620 173.8
[M+H-H2O]+ 347.05030 174.6
[M+HCOO]- 409.05124 172.6
[M+CH3COO]- 423.06689 213.7
[M+Na-2H]- 385.02771 170.3
[M]+ 364.05249 179.7
[M]- 364.05359 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.