CID 22833294

(1s,4r)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C10H9Cl7
SMILES
CC1(C(=C)[C@@]2(C([C@]1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C
InChI
InChI=1S/C10H9Cl7/c1-4-6(2,3)8(13)5(11)7(4,12)9(14,15)10(8,16)17/h5H,1H2,2-3H3/t5?,7-,8-/m0/s1
InChIKey
HBQPGVWPSQGTJK-TWELXNIESA-N
Compound name
(1S,4R)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

373.8524 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.85968 174.3
[M+Na]+ 396.84162 183.4
[M-H]- 372.84512 169.0
[M+NH4]+ 391.88622 194.6
[M+K]+ 412.81556 177.2
[M+H-H2O]+ 356.84966 175.2
[M+HCOO]- 418.85060 160.4
[M+CH3COO]- 432.86625 179.5
[M+Na-2H]- 394.82707 170.9
[M]+ 373.85185 167.0
[M]- 373.85295 167.0
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

No patent data available for this compound.