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]+ 364.86226 192.0
[M+Na]+ 386.84420 203.8
[M-H]- 362.84770 189.7
[M+NH4]+ 381.88880 215.6
[M+K]+ 402.81814 197.0
[M+H-H2O]+ 346.85224 191.1
[M+HCOO]- 408.85318 181.4
[M+CH3COO]- 422.86883 198.7
[M+Na-2H]- 384.82965 187.3
[M]+ 363.85443 191.1
[M]- 363.85553 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.