CID 37926

1,2,4,5,7,8-hexachloro-9h-xanthene

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]+ 386.84660 178.2
[M+Na]+ 408.82854 188.9
[M-H]- 384.83204 176.4
[M+NH4]+ 403.87314 190.5
[M+K]+ 424.80248 185.2
[M+H-H2O]+ 368.83658 175.2
[M+HCOO]- 430.83752 167.3
[M+CH3COO]- 444.85317 185.0
[M+Na-2H]- 406.81399 176.9
[M]+ 385.83877 178.4
[M]- 385.83987 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.