CID 4105304

20389-65-5

Structural Information

Molecular Formula
C12H8Br2Cl6
SMILES
C1C2C3C(C1C(C2Br)Br)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H8Br2Cl6/c13-6-2-1-3(7(6)14)5-4(2)10(17)8(15)9(16)11(5,18)12(10,19)20/h2-7H,1H2
InChIKey
SUSUGGDVAULJNM-UHFFFAOYSA-N
Compound name
9,10-dibromo-3,4,5,6,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

519.7124 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.71968 194.8
[M+Na]+ 542.70162 210.4
[M-H]- 518.70512 197.0
[M+NH4]+ 537.74622 217.0
[M+K]+ 558.67556 194.1
[M+H-H2O]+ 502.70966 205.0
[M+HCOO]- 564.71060 184.9
[M+CH3COO]- 578.72625 203.0
[M+Na-2H]- 540.68707 191.7
[M]+ 519.71185 219.3
[M]- 519.71295 219.3
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