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

44
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 149.4
[M+Na]+ 288.94296 162.5
[M-H]- 264.94646 155.1
[M+NH4]+ 283.98756 169.1
[M+K]+ 304.91690 157.8
[M+H-H2O]+ 248.95100 145.2
[M+HCOO]- 310.95194 160.3
[M+CH3COO]- 324.96759 163.2
[M+Na-2H]- 286.92841 156.9
[M]+ 265.95319 155.8
[M]- 265.95429 155.8
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