CID 12475

3,4,5,6-tetrahydrophthalic anhydride

Structural Information

Molecular Formula
C8H8O3
SMILES
C1CCC2=C(C1)C(=O)OC2=O
InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChIKey
HMMBJOWWRLZEMI-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

6948
Patents

152.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 126.1
[M+Na]+ 175.03657 134.6
[M-H]- 151.04007 131.3
[M+NH4]+ 170.08117 148.9
[M+K]+ 191.01051 134.2
[M+H-H2O]+ 135.04461 121.7
[M+HCOO]- 197.04555 147.4
[M+CH3COO]- 211.06120 173.4
[M+Na-2H]- 173.02202 132.4
[M]+ 152.04680 125.2
[M]- 152.04790 125.2
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

No patent data available for this compound.