CID 6450260

2-norbornene, 1,2,3,4,7,7-hexachloro-5-(1,5-hexadienyl)-, endo-

Structural Information

Molecular Formula
C13H12Cl6
SMILES
C=CCC/C=C/C1CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H12Cl6/c1-2-3-4-5-6-8-7-11(16)9(14)10(15)12(8,17)13(11,18)19/h2,5-6,8H,1,3-4,7H2/b6-5+
InChIKey
VINJGHUDBZQHQX-AATRIKPKSA-N
Compound name
1,2,3,4,7,7-hexachloro-5-[(1E)-hexa-1,5-dienyl]bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.907 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.914276 186.3
[M+Na]+ 400.896218 195.7
[M-H]- 376.899724 182.1
[M+NH4]+ 395.940823 206.1
[M+K]+ 416.870158 187.2
[M+H-H2O]+ 360.904260 185.3
[M+HCOO]- 422.905201 176.6
[M+CH3COO]- 436.920851 192.2
[M+Na-2H]- 398.881666 182.0
[M]+ 377.90645142 183.0
[M]- 377.90754858 183.0
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.