CID 6961

Pyromellitic acid

Structural Information

Molecular Formula
C10H6O8
SMILES
C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey
CYIDZMCFTVVTJO-UHFFFAOYSA-N
Compound name
benzene-1,2,4,5-tetracarboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

151
References

119741
Patents

254.00627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01355 145.4
[M+Na]+ 276.99549 152.5
[M-H]- 252.99899 144.3
[M+NH4]+ 272.04009 159.0
[M+K]+ 292.96943 151.6
[M+H-H2O]+ 237.00353 140.1
[M+HCOO]- 299.00447 161.9
[M+CH3COO]- 313.02012 186.4
[M+Na-2H]- 274.98094 144.6
[M]+ 254.00572 145.6
[M]- 254.00682 145.6
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