CID 6537497

Cereclor

Structural Information

Molecular Formula
C24H44Cl6
SMILES
CCCC(CCCC(CCC(CCC(CCC(CCCC(CCC)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
InChIKey
QKUNKVYPGIOQNP-UHFFFAOYSA-N
Compound name
4,8,11,14,17,21-hexachlorotetracosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4
References

1402
Patents

542.1574 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.16468 222.7
[M+Na]+ 565.14662 221.5
[M-H]- 541.15012 214.2
[M+NH4]+ 560.19122 228.4
[M+K]+ 581.12056 214.2
[M+H-H2O]+ 525.15466 219.5
[M+HCOO]- 587.15560 206.5
[M+CH3COO]- 601.17125 247.1
[M+Na-2H]- 563.13207 209.0
[M]+ 542.15685 224.1
[M]- 542.15795 224.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe