CID 275860

2-bromo-5,6,7,8,9,9-hexachloro-octahydro-1,4:5,8-dimethanonaphthalene

Structural Information

Molecular Formula
C12H9BrCl6
SMILES
C1C2CC(C1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)Br
InChI
InChI=1S/C12H9BrCl6/c13-5-2-3-1-4(5)7-6(3)10(16)8(14)9(15)11(7,17)12(10,18)19/h3-7H,1-2H2
InChIKey
ZCXWLYHFCQNFFL-UHFFFAOYSA-N
Compound name
9-bromo-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

0
Patents

441.80188 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.80916 199.3
[M+Na]+ 464.79110 214.8
[M-H]- 440.79460 199.5
[M+NH4]+ 459.83570 224.6
[M+K]+ 480.76504 200.5
[M+H-H2O]+ 424.79914 203.4
[M+HCOO]- 486.80008 188.3
[M+CH3COO]- 500.81573 207.3
[M+Na-2H]- 462.77655 194.7
[M]+ 441.80133 211.1
[M]- 441.80243 211.1
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

No patent data available for this compound.