CID 5284469

Toxaphene

Structural Information

Molecular Formula
C10H8Cl8
SMILES
C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl
InChI
InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2
InChIKey
OEJNXTAZZBRGDN-UHFFFAOYSA-N
Compound name
1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

473
References

3833
Patents

407.81342 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.82070 193.3
[M+Na]+ 430.80264 199.4
[M-H]- 406.80614 184.8
[M+NH4]+ 425.84724 208.5
[M+K]+ 446.77658 194.8
[M+H-H2O]+ 390.81068 192.5
[M+HCOO]- 452.81162 174.5
[M+CH3COO]- 466.82727 194.8
[M+Na-2H]- 428.78809 185.6
[M]+ 407.81287 181.9
[M]- 407.81397 181.9
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

patents stripe