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

8370
Patents

224.03209 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03937 139.7
[M+Na]+ 247.02131 149.4
[M-H]- 223.02481 146.7
[M+NH4]+ 242.06591 161.1
[M+K]+ 262.99525 149.4
[M+H-H2O]+ 207.02935 137.4
[M+HCOO]- 269.03029 157.7
[M+CH3COO]- 283.04594 187.7
[M+Na-2H]- 245.00676 142.9
[M]+ 224.03154 141.1
[M]- 224.03264 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