CID 18820

3389-71-7

Structural Information

Molecular Formula
C7H2Cl6
SMILES
C1=CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H
InChIKey
IHAXIFZOERJWDF-UHFFFAOYSA-N
Compound name
1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hepta-2,5-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

21
Patents

295.82877 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.83605 162.5
[M+Na]+ 318.81799 173.6
[M-H]- 294.82149 159.1
[M+NH4]+ 313.86259 184.9
[M+K]+ 334.79193 167.1
[M+H-H2O]+ 278.82603 161.9
[M+HCOO]- 340.82697 155.3
[M+CH3COO]- 354.84262 170.7
[M+Na-2H]- 316.80344 162.2
[M]+ 295.82822 159.7
[M]- 295.82932 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe