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

2444
Patents

542.1574 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.164676 222.7
[M+Na]+ 565.146618 221.5
[M-H]- 541.150124 214.2
[M+NH4]+ 560.191223 228.4
[M+K]+ 581.120558 214.2
[M+H-H2O]+ 525.154660 219.5
[M+HCOO]- 587.155601 206.5
[M+CH3COO]- 601.171251 247.1
[M+Na-2H]- 563.132066 209.0
[M]+ 542.15685142 224.1
[M]- 542.15794858 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