CID 4091816

7267-14-3

Structural Information

Molecular Formula
C12H4Cl2O3
SMILES
C1=CC(=C2C(=CC=C3C2=C1C(=O)OC3=O)Cl)Cl
InChI
InChI=1S/C12H4Cl2O3/c13-7-3-1-5-9-6(12(16)17-11(5)15)2-4-8(14)10(7)9/h1-4H
InChIKey
FCSWROAHPQGTNM-UHFFFAOYSA-N
Compound name
8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

265.95374 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96102 147.4
[M+Na]+ 288.94296 165.2
[M+NH4]+ 283.98756 157.6
[M+K]+ 304.91690 156.7
[M-H]- 264.94646 151.8
[M+Na-2H]- 286.92841 153.3
[M]+ 265.95319 152.0
[M]- 265.95429 152.0
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

patents stripe