CID 290887

5,5,10,10-tetrachlorotricyclo[7.1.0.0(4,6)]decane

Structural Information

Molecular Formula
C10H12Cl4
SMILES
C1CC2C(C2(Cl)Cl)CCC3C1C3(Cl)Cl
InChI
InChI=1S/C10H12Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
InChIKey
NKVPORTUSHMWBV-UHFFFAOYSA-N
Compound name
5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9693 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97658 152.8
[M+Na]+ 294.95852 157.5
[M-H]- 270.96202 153.6
[M+NH4]+ 290.00312 157.7
[M+K]+ 310.93246 157.2
[M+H-H2O]+ 254.96656 151.2
[M+HCOO]- 316.96750 151.8
[M+CH3COO]- 330.98315 155.6
[M+Na-2H]- 292.94397 151.8
[M]+ 271.96875 153.9
[M]- 271.96985 153.9
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

No patent data available for this compound.