CID 107115

Hercules 426-a

Structural Information

Molecular Formula
C8H4Cl8
SMILES
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C8H4Cl8/c9-3-4(10)7(14)2(5(11)12)1-6(3,13)8(7,15)16/h2,5H,1H2
InChIKey
IFACMWNIOXNWER-UHFFFAOYSA-N
Compound name
1,2,3,4,7,7-hexachloro-5-(dichloromethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.78214 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.789416 190.0
[M+Na]+ 402.771358 195.9
[M-H]- 378.774864 181.5
[M+NH4]+ 397.815963 204.7
[M+K]+ 418.745298 192.3
[M+H-H2O]+ 362.779400 188.7
[M+HCOO]- 424.780341 171.5
[M+CH3COO]- 438.795991 191.9
[M+Na-2H]- 400.756806 182.2
[M]+ 379.78159142 179.1
[M]- 379.78268858 179.1
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

patents stripe