CID 34276

2,7:3,6-dimethanonaphth(2,3-b)oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer

Structural Information

Molecular Formula
C12H8Cl6O2
SMILES
C12C3C(C(C1O)C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl6O2/c13-8-9(14)11(16)4-2-5(19)1(6-7(2)20-6)3(4)10(8,15)12(11,17)18/h1-7,19H
InChIKey
VRHKKHANKOOSAH-UHFFFAOYSA-N
Compound name
3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-en-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.86554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.87282 187.6
[M+Na]+ 416.85476 199.1
[M-H]- 392.85826 184.7
[M+NH4]+ 411.89936 205.8
[M+K]+ 432.82870 192.6
[M+H-H2O]+ 376.86280 188.6
[M+HCOO]- 438.86374 173.0
[M+CH3COO]- 452.87939 193.1
[M+Na-2H]- 414.84021 182.7
[M]+ 393.86499 188.9
[M]- 393.86609 188.9
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.