CID 5284362

Dtxsid30872631

Structural Information

Molecular Formula
C23H41Cl7
SMILES
CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C23H41Cl7/c1-3-4-18(25)7-8-20(27)11-12-22(29)15-16-23(30)14-13-21(28)10-9-19(26)6-5-17(2)24/h17-23H,3-16H2,1-2H3
InChIKey
HVQBXIKXSLRJKP-UHFFFAOYSA-N
Compound name
2,5,8,11,14,17,20-heptachlorotricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1028 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.110076 221.7
[M+Na]+ 585.092018 219.8
[M-H]- 561.095524 211.7
[M+NH4]+ 580.136623 225.8
[M+K]+ 601.065958 214.2
[M+H-H2O]+ 545.100060 219.1
[M+HCOO]- 607.101001 201.3
[M+CH3COO]- 621.116651 248.5
[M+Na-2H]- 583.077466 206.6
[M]+ 562.10225142 219.3
[M]- 562.10334858 219.3
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.