CID 73555685

Dtxsid40951345

Structural Information

Molecular Formula
C7H3Cl7
SMILES
C1=CC2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl7/c8-3-4(9)1-2-5(3,10)7(13,14)6(4,11)12/h1-3H
InChIKey
BJNDSDWXVRYXKM-UHFFFAOYSA-N
Compound name
1,4,5,5,6,6,7-heptachlorobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.80545 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.81273 171.3
[M+Na]+ 354.79467 180.1
[M-H]- 330.79817 165.6
[M+NH4]+ 349.83927 191.2
[M+K]+ 370.76861 174.7
[M+H-H2O]+ 314.80271 170.8
[M+HCOO]- 376.80365 158.4
[M+CH3COO]- 390.81930 176.7
[M+Na-2H]- 352.78012 168.9
[M]+ 331.80490 164.0
[M]- 331.80600 164.0
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.