CID 233143

2,6-dichloroxanthen-9-one

Structural Information

Molecular Formula
C13H6Cl2O2
SMILES
C1=CC2=C(C=C1Cl)OC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C13H6Cl2O2/c14-7-2-4-11-10(5-7)13(16)9-3-1-8(15)6-12(9)17-11/h1-6H
InChIKey
NOOUMCKTSHNIHX-UHFFFAOYSA-N
Compound name
2,6-dichloroxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98178 148.6
[M+Na]+ 286.96372 163.4
[M-H]- 262.96722 155.4
[M+NH4]+ 282.00832 168.3
[M+K]+ 302.93766 157.8
[M+H-H2O]+ 246.97176 143.9
[M+HCOO]- 308.97270 162.9
[M+CH3COO]- 322.98835 163.3
[M+Na-2H]- 284.94917 158.5
[M]+ 263.97395 156.8
[M]- 263.97505 156.8
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.