CID 84135

2,5,8-benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro-

Structural Information

Molecular Formula
C12H12O5
SMILES
C1COC(=O)C2=CC=CC=C2C(=O)OCCO1
InChI
InChI=1S/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2
InChIKey
LZEGUDFMCKJMPX-UHFFFAOYSA-N
Compound name
3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 145.2
[M+Na]+ 259.057688 152.4
[M-H]- 235.061194 149.3
[M+NH4]+ 254.102293 157.1
[M+K]+ 275.031628 155.1
[M+H-H2O]+ 219.065730 142.7
[M+HCOO]- 281.066671 162.2
[M+CH3COO]- 295.082321 183.7
[M+Na-2H]- 257.043136 153.0
[M]+ 236.06792142 143.5
[M]- 236.06901858 143.5
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