CID 19520

Nonachlor

Structural Information

Molecular Formula
C10H5Cl9
SMILES
C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H
InChIKey
OCHOKXCPKDPNQU-UHFFFAOYSA-N
Compound name
1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

247
References

126
Patents

439.7588 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.766076 216.5
[M+Na]+ 462.748018 221.5
[M-H]- 438.751524 206.3
[M+NH4]+ 457.792623 228.8
[M+K]+ 478.721958 218.8
[M+H-H2O]+ 422.756060 213.8
[M+HCOO]- 484.757001 193.9
[M+CH3COO]- 498.772651 215.1
[M+Na-2H]- 460.733466 203.7
[M]+ 439.75825142 202.1
[M]- 439.75934858 202.1
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