CID 73983

1319-80-8

Structural Information

Molecular Formula
C10H8Cl8
SMILES
CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)C
InChI
InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3
InChIKey
LVJGHULVGIFLAE-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

407.81342 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.82070 180.2
[M+Na]+ 430.80264 187.5
[M-H]- 406.80614 172.9
[M+NH4]+ 425.84724 197.8
[M+K]+ 446.77658 182.7
[M+H-H2O]+ 390.81068 180.8
[M+HCOO]- 452.81162 162.9
[M+CH3COO]- 466.82727 183.0
[M+Na-2H]- 428.78809 175.5
[M]+ 407.81287 169.7
[M]- 407.81397 169.7
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

patents stripe