CID 14453667

1,2,4,5-cyclohexanetetracarboxylic dianhydride

Structural Information

Molecular Formula
C10H8O6
SMILES
C1C2C(CC3C1C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C10H8O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h3-6H,1-2H2
InChIKey
LJMPOXUWPWEILS-UHFFFAOYSA-N
Compound name
3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7098
Patents

224.03209 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.039366 139.7
[M+Na]+ 247.021308 149.4
[M-H]- 223.024814 146.7
[M+NH4]+ 242.065913 161.1
[M+K]+ 262.995248 149.4
[M+H-H2O]+ 207.029350 137.4
[M+HCOO]- 269.030291 157.7
[M+CH3COO]- 283.045941 187.7
[M+Na-2H]- 245.006756 142.9
[M]+ 224.03154142 141.1
[M]- 224.03263858 141.1
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