CID 17960152

677010-20-7

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C15H10O6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
LQEZHWGJSWHXPJ-UHFFFAOYSA-N
Compound name
5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

973
Patents

286.04773 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 159.2
[M+Na]+ 309.03695 166.0
[M-H]- 285.04045 162.5
[M+NH4]+ 304.08155 172.2
[M+K]+ 325.01089 163.2
[M+H-H2O]+ 269.04499 152.3
[M+HCOO]- 331.04593 177.4
[M+CH3COO]- 345.06158 194.6
[M+Na-2H]- 307.02240 159.9
[M]+ 286.04718 158.9
[M]- 286.04828 158.9
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.