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

120225
Patents

192.00587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.013146 132.1
[M+Na]+ 214.995088 142.5
[M-H]- 190.998594 137.0
[M+NH4]+ 210.039693 152.7
[M+K]+ 230.969028 141.6
[M+H-H2O]+ 175.003130 127.8
[M+HCOO]- 237.004071 154.1
[M+CH3COO]- 251.019721 178.9
[M+Na-2H]- 212.980536 137.7
[M]+ 192.00532142 134.6
[M]- 192.00641858 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

literature stripe

Patent stripe

patents stripe