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

1
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

patents stripe