CID 75124212

1alpha,2,4beta,5,6,7beta,8,8-octachloro-3aalpha,4,7,7aalpha-tetrahydro-4,7-methanoindene

Structural Information

Molecular Formula
C10H4Cl8
SMILES
C1=C([C@@H]([C@@H]2[C@H]1[C@@]3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h1-2,4-5H/t2-,4-,5-,8-,9?/m0/s1
InChIKey
MXWWQTOZVNNERA-FPLZKDNJSA-N
Compound name
(1S,2S,5R,6S)-1,4,5,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.78214 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.789416 203.6
[M+Na]+ 426.771358 211.4
[M-H]- 402.774864 196.0
[M+NH4]+ 421.815963 219.6
[M+K]+ 442.745298 206.8
[M+H-H2O]+ 386.779400 201.4
[M+HCOO]- 448.780341 185.5
[M+CH3COO]- 462.795991 205.4
[M+Na-2H]- 424.756806 194.2
[M]+ 403.78159142 193.8
[M]- 403.78268858 193.8
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.