CID 10708

1,2,4-benzenetricarboxylic acid

Structural Information

Molecular Formula
C9H6O6
SMILES
C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
ARCGXLSVLAOJQL-UHFFFAOYSA-N
Compound name
benzene-1,2,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

58
References

76592
Patents

210.01643 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02371 141.0
[M+Na]+ 233.00565 150.2
[M+NH4]+ 228.05025 145.4
[M+K]+ 248.97959 149.0
[M-H]- 209.00915 138.4
[M+Na-2H]- 230.99110 143.3
[M]+ 210.01588 141.0
[M]- 210.01698 141.0
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