CID 16686

Dienochlor

Structural Information

Molecular Formula
C10Cl10
SMILES
C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
InChIKey
LWLJUMBEZJHXHV-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6
References

10447
Patents

469.68854 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.695816 220.3
[M+Na]+ 492.677758 223.1
[M-H]- 468.681264 209.2
[M+NH4]+ 487.722363 226.0
[M+K]+ 508.651698 223.1
[M+H-H2O]+ 452.685800 215.6
[M+HCOO]- 514.686741 197.3
[M+CH3COO]- 528.702391 217.0
[M+Na-2H]- 490.663206 205.0
[M]+ 469.68799142 203.9
[M]- 469.68908858 203.9
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