CID 255291

Mellitic trianhydride

Structural Information

Molecular Formula
C12O9
SMILES
C12=C(C3=C(C4=C1C(=O)OC4=O)C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C12O9/c13-7-1-2(8(14)19-7)4-6(12(18)21-11(4)17)5-3(1)9(15)20-10(5)16
InChIKey
NNYHMCFMPHPHOQ-UHFFFAOYSA-N
Compound name
4,9,14-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),7(11)-triene-3,5,8,10,13,15-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2042
Patents

287.95422 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96150 148.6
[M+Na]+ 310.94344 164.2
[M+NH4]+ 305.98804 154.3
[M+K]+ 326.91738 167.4
[M-H]- 286.94694 152.0
[M+Na-2H]- 308.92889 149.9
[M]+ 287.95367 151.7
[M]- 287.95477 151.7
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