CID 22833341

Paraffins, chloro-

Structural Information

Molecular Formula
C20H34Cl8
SMILES
CCCC(CCC(CC(C(CCC(CCC(C(CC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C20H34Cl8/c1-3-4-14(22)5-6-16(24)12-20(28)18(26)10-8-15(23)7-9-17(25)19(27)11-13(2)21/h13-20H,3-12H2,1-2H3
InChIKey
GHPXWFDSOBCWEE-UHFFFAOYSA-N
Compound name
2,4,5,8,11,12,14,17-octachloroicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

554.01685 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.02413 215.4
[M+Na]+ 577.00607 212.9
[M-H]- 553.00957 204.0
[M+NH4]+ 572.05067 218.4
[M+K]+ 592.98001 209.6
[M+H-H2O]+ 537.01411 213.3
[M+HCOO]- 599.01505 191.7
[M+CH3COO]- 613.03070 246.1
[M+Na-2H]- 574.99152 199.5
[M]+ 554.01630 208.3
[M]- 554.01740 208.3
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