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 174.3
[M+Na]+ 390.83910 185.4
[M-H]- 366.84260 171.7
[M+NH4]+ 385.88370 191.2
[M+K]+ 406.81304 180.2
[M+H-H2O]+ 350.84714 175.1
[M+HCOO]- 412.84808 161.3
[M+CH3COO]- 426.86373 180.7
[M+Na-2H]- 388.82455 171.6
[M]+ 367.84933 175.0
[M]- 367.85043 175.0
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.