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]+ 332.812726 171.3
[M+Na]+ 354.794668 180.1
[M-H]- 330.798174 165.6
[M+NH4]+ 349.839273 191.2
[M+K]+ 370.768608 174.7
[M+H-H2O]+ 314.802710 170.8
[M+HCOO]- 376.803651 158.4
[M+CH3COO]- 390.819301 176.7
[M+Na-2H]- 352.780116 168.9
[M]+ 331.80490142 164.0
[M]- 331.80599858 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.