CID 15314

Benzenepentacarboxylic acid

Structural Information

Molecular Formula
C11H6O10
SMILES
C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
QNSOHXTZPUMONC-UHFFFAOYSA-N
Compound name
benzene-1,2,3,4,5-pentacarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2246
Patents

297.9961 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00338 151.7
[M+Na]+ 320.98532 158.2
[M-H]- 296.98882 149.4
[M+NH4]+ 316.02992 162.6
[M+K]+ 336.95926 158.2
[M+H-H2O]+ 280.99336 146.2
[M+HCOO]- 342.99430 165.8
[M+CH3COO]- 357.00995 194.3
[M+Na-2H]- 318.97077 148.6
[M]+ 297.99555 152.4
[M]- 297.99665 152.4
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