CID 92557

56890-89-2

Structural Information

Molecular Formula
C13H5Br3Cl6
SMILES
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C3=C(C=C(C=C3Br)Br)Br
InChI
InChI=1S/C13H5Br3Cl6/c14-4-1-6(15)8(7(16)2-4)5-3-11(19)9(17)10(18)12(5,20)13(11,21)22/h1-2,5H,3H2
InChIKey
MVQRAJZAYJHOAS-UHFFFAOYSA-N
Compound name
1,2,3,4,7,7-hexachloro-5-(2,4,6-tribromophenyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.60724 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.61452 180.3
[M+Na]+ 630.59646 192.3
[M-H]- 606.59996 183.9
[M+NH4]+ 625.64106 194.7
[M+K]+ 646.57040 177.0
[M+H-H2O]+ 590.60450 194.7
[M+HCOO]- 652.60544 173.1
[M+CH3COO]- 666.62109 187.5
[M+Na-2H]- 628.58191 179.5
[M]+ 607.60669 212.6
[M]- 607.60779 212.6
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.