CID 5302

Dtxsid7021283

Structural Information

Molecular Formula
C10H10Cl8
SMILES
CC1(C2(C(C(C(C1(C2Cl)Cl)(C(Cl)Cl)Cl)Cl)Cl)Cl)C
InChI
InChI=1S/C10H10Cl8/c1-7(2)8(16)3(11)4(12)9(17,6(14)15)10(7,18)5(8)13/h3-6H,1-2H3
InChIKey
DVEYBSZJQZPNLT-UHFFFAOYSA-N
Compound name
1,2,3,4,5,7-hexachloro-2-(dichloromethyl)-6,6-dimethylbicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

7
Patents

409.82907 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.836346 180.0
[M+Na]+ 432.818288 186.4
[M-H]- 408.821794 170.0
[M+NH4]+ 427.862893 191.7
[M+K]+ 448.792228 184.8
[M+H-H2O]+ 392.826330 180.0
[M+HCOO]- 454.827271 158.7
[M+CH3COO]- 468.842921 181.9
[M+Na-2H]- 430.803736 177.8
[M]+ 409.82852142 178.6
[M]- 409.82961858 178.6
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