CID 198018

1-hydroxychlordene epoxide

Structural Information

Molecular Formula
C10H6Cl6O2
SMILES
C12C(C3C(C1O)O3)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6O2/c11-6-7(12)9(14)2-1(3(17)5-4(2)18-5)8(6,13)10(9,15)16/h1-5,17H
InChIKey
TUXPWMMOWKUHBV-UHFFFAOYSA-N
Compound name
1,8,9,10,11,11-hexachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-en-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.84988 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.85716 163.5
[M+Na]+ 390.83910 174.7
[M+NH4]+ 385.88370 174.2
[M+K]+ 406.81304 169.1
[M-H]- 366.84260 167.9
[M+Na-2H]- 388.82455 167.5
[M]+ 367.84933 168.6
[M]- 367.85043 168.6
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

No patent data available for this compound.