CID 759394

[1,1'-biphenyl]-3,3',4,4'-tetracarboxylic acid

Structural Information

Molecular Formula
C16H10O8
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
LFBALUPVVFCEPA-UHFFFAOYSA-N
Compound name
4-(3,4-dicarboxyphenyl)phthalic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

23436
Patents

330.03757 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04485 166.6
[M+Na]+ 353.02679 172.9
[M-H]- 329.03029 168.8
[M+NH4]+ 348.07139 176.9
[M+K]+ 369.00073 170.9
[M+H-H2O]+ 313.03483 159.7
[M+HCOO]- 375.03577 182.5
[M+CH3COO]- 389.05142 202.0
[M+Na-2H]- 351.01224 164.8
[M]+ 330.03702 166.9
[M]- 330.03812 166.9
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