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

2412
Patents

287.95422 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.961496 144.2
[M+Na]+ 310.943438 163.8
[M-H]- 286.946944 157.5
[M+NH4]+ 305.988043 165.4
[M+K]+ 326.917378 164.5
[M+H-H2O]+ 270.951480 144.0
[M+HCOO]- 332.952421 172.8
[M+CH3COO]- 346.968071 163.1
[M+Na-2H]- 308.928886 152.3
[M]+ 287.95367142 161.9
[M]- 287.95476858 161.9
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