CID 85364149

Arbinex

Structural Information

Molecular Formula
C10H5Cl9
SMILES
C12C(C(C(C1Cl)Cl)Cl)[C@@]3(C(=C([C@]2(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/t1?,2?,3?,4?,5?,8-,9+
InChIKey
OCHOKXCPKDPNQU-VAWIPOKJSA-N
Compound name
(1R,7S)-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

114
Patents

439.7588 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.76608 216.5
[M+Na]+ 462.74802 221.5
[M-H]- 438.75152 206.3
[M+NH4]+ 457.79262 228.8
[M+K]+ 478.72196 218.8
[M+H-H2O]+ 422.75606 213.8
[M+HCOO]- 484.75700 193.9
[M+CH3COO]- 498.77265 215.1
[M+Na-2H]- 460.73347 203.7
[M]+ 439.75825 202.1
[M]- 439.75935 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

No patent data available for this compound.