CID 11089

Trimellitic anhydride

Structural Information

Molecular Formula
C9H4O5
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
InChI
InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)
InChIKey
SRPWOOOHEPICQU-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

299
References

119811
Patents

192.00587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01315 132.1
[M+Na]+ 214.99509 142.5
[M-H]- 190.99859 137.0
[M+NH4]+ 210.03969 152.7
[M+K]+ 230.96903 141.6
[M+H-H2O]+ 175.00313 127.8
[M+HCOO]- 237.00407 154.1
[M+CH3COO]- 251.01972 178.9
[M+Na-2H]- 212.98054 137.7
[M]+ 192.00532 134.6
[M]- 192.00642 134.6
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.