CID 101689439

154159-06-5

Structural Information

Molecular Formula
C10H9Cl9
SMILES
C1[C@H]2[C@@]([C@@](C1(Cl)Cl)(CC2(Cl)Cl)C(Cl)Cl)(CCl)C(Cl)Cl
InChI
InChI=1S/C10H9Cl9/c11-3-7(5(12)13)4-1-10(18,19)8(7,6(14)15)2-9(4,16)17/h4-6H,1-3H2/t4-,7-,8+/m0/s1
InChIKey
QBYUXOGVJMFMHR-ZQASAOEGSA-N
Compound name
(1S,4S,7R)-2,2,5,5-tetrachloro-7-(chloromethyl)-1,7-bis(dichloromethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.7901 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.79738 203.7
[M+Na]+ 466.77932 206.1
[M-H]- 442.78282 193.0
[M+NH4]+ 461.82392 215.1
[M+K]+ 482.75326 203.9
[M+H-H2O]+ 426.78736 202.0
[M+HCOO]- 488.78830 180.6
[M+CH3COO]- 502.80395 202.2
[M+Na-2H]- 464.76477 193.1
[M]+ 443.78955 188.6
[M]- 443.79065 188.6
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.