CID 201363

5836-04-4

Structural Information

Molecular Formula
C11H6Cl6O
SMILES
C1=CC2C3C(C1O2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C11H6Cl6O/c12-7-8(13)10(15)6-4-2-1-3(18-4)5(6)9(7,14)11(10,16)17/h1-6H
InChIKey
RLRTXCXGNIUXCU-UHFFFAOYSA-N
Compound name
3,4,5,6,12,12-hexachloro-11-oxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.85498 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.862256 192.0
[M+Na]+ 386.844198 203.8
[M-H]- 362.847704 189.7
[M+NH4]+ 381.888803 215.6
[M+K]+ 402.818138 197.0
[M+H-H2O]+ 346.852240 191.1
[M+HCOO]- 408.853181 181.4
[M+CH3COO]- 422.868831 198.7
[M+Na-2H]- 384.829646 187.3
[M]+ 363.85443142 191.1
[M]- 363.85552858 191.1
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.