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]+ 380.78942 190.0
[M+Na]+ 402.77136 195.9
[M-H]- 378.77486 181.5
[M+NH4]+ 397.81596 204.7
[M+K]+ 418.74530 192.3
[M+H-H2O]+ 362.77940 188.7
[M+HCOO]- 424.78034 171.5
[M+CH3COO]- 438.79599 191.9
[M+Na-2H]- 400.75681 182.2
[M]+ 379.78159 179.1
[M]- 379.78269 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