CID 4650713

1,9,10,11,12,12-hexachlorotricyclo(7.2.1.02,8)dodec-10-ene

Structural Information

Molecular Formula
C12H12Cl6
SMILES
C1CCC2C(CC1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H12Cl6/c13-8-9(14)11(16)7-5-3-1-2-4-6(7)10(8,15)12(11,17)18/h6-7H,1-5H2
InChIKey
HQYVDLQNJILNTR-UHFFFAOYSA-N
Compound name
1,9,10,11,12,12-hexachlorotricyclo[7.2.1.02,8]dodec-10-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.907 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.91428 180.7
[M+Na]+ 388.89622 192.4
[M-H]- 364.89972 177.9
[M+NH4]+ 383.94082 201.0
[M+K]+ 404.87016 185.8
[M+H-H2O]+ 348.90426 175.9
[M+HCOO]- 410.90520 170.4
[M+CH3COO]- 424.92085 186.9
[M+Na-2H]- 386.88167 177.7
[M]+ 365.90645 172.8
[M]- 365.90755 172.8
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.