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]+ 378.91428 186.3
[M+Na]+ 400.89622 195.7
[M-H]- 376.89972 182.1
[M+NH4]+ 395.94082 206.1
[M+K]+ 416.87016 187.2
[M+H-H2O]+ 360.90426 185.3
[M+HCOO]- 422.90520 176.6
[M+CH3COO]- 436.92085 192.2
[M+Na-2H]- 398.88167 182.0
[M]+ 377.90645 183.0
[M]- 377.90755 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.