CID 3369891

P-terphenyl-4,4''-dicarboxylic acid

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)
InChIKey
FZTIWOBQQYPTCJ-UHFFFAOYSA-N
Compound name
4-[4-(4-carboxyphenyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9043
Patents

318.0892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09648 172.4
[M+Na]+ 341.07842 179.0
[M-H]- 317.08192 179.8
[M+NH4]+ 336.12302 184.5
[M+K]+ 357.05236 174.0
[M+H-H2O]+ 301.08646 163.8
[M+HCOO]- 363.08740 192.1
[M+CH3COO]- 377.10305 203.3
[M+Na-2H]- 339.06387 174.3
[M]+ 318.08865 171.3
[M]- 318.08975 171.3
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