CID 3574958

2-(benzyloxy)-decachloro-octahydro-1,3,4-metheno-2h-cyclobuta(cd)pentalen-2-ol

Structural Information

Molecular Formula
C17H8Cl10O2
SMILES
C1=CC=C(C=C1)COC2(C3(C4(C5(C2(C6(C3(C4(C(C56Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C17H8Cl10O2/c18-8-9(19)13(23)11(21)10(20,12(8,22)16(13,26)27)14(8,24)17(28,15(9,11)25)29-6-7-4-2-1-3-5-7/h1-5,28H,6H2
InChIKey
AWXDAOKALVZBRD-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9,10,10-decachloro-5-phenylmethoxypentacyclo[5.3.0.02,6.03,9.04,8]decan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.74097 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.74825 182.5
[M+Na]+ 616.73019 184.7
[M+NH4]+ 611.77479 186.8
[M+K]+ 632.70413 178.8
[M-H]- 592.73369 179.2
[M+Na-2H]- 614.71564 182.8
[M]+ 593.74042 182.4
[M]- 593.74152 182.4
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.