CID 37926

38178-99-3

Structural Information

Molecular Formula
C13H4Cl6O
SMILES
C1C2=C(C(=CC(=C2Cl)Cl)Cl)OC3=C1C(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C13H4Cl6O/c14-6-2-8(16)12-4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)20-12/h2-3H,1H2
InChIKey
UJJKLXQRMWQYJE-UHFFFAOYSA-N
Compound name
1,2,4,5,7,8-hexachloro-9H-xanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.83932 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.846596 178.2
[M+Na]+ 408.828538 188.9
[M-H]- 384.832044 176.4
[M+NH4]+ 403.873143 190.5
[M+K]+ 424.802478 185.2
[M+H-H2O]+ 368.836580 175.2
[M+HCOO]- 430.837521 167.3
[M+CH3COO]- 444.853171 185.0
[M+Na-2H]- 406.813986 176.9
[M]+ 385.83877142 178.4
[M]- 385.83986858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.