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

1
Patents

443.7901 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.797376 203.7
[M+Na]+ 466.779318 206.1
[M-H]- 442.782824 193.0
[M+NH4]+ 461.823923 215.1
[M+K]+ 482.753258 203.9
[M+H-H2O]+ 426.787360 202.0
[M+HCOO]- 488.788301 180.6
[M+CH3COO]- 502.803951 202.2
[M+Na-2H]- 464.764766 193.1
[M]+ 443.78955142 188.6
[M]- 443.79064858 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

patents stripe