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

1182
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 161.3
[M+Na]+ 309.03695 172.7
[M+NH4]+ 304.08155 166.0
[M+K]+ 325.01089 169.7
[M-H]- 285.04045 161.6
[M+Na-2H]- 307.02240 166.2
[M]+ 286.04718 162.6
[M]- 286.04828 162.6
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