CID 57589251

932033-58-4

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)O
InChI
InChI=1S/C22H14O4/c23-21(24)19-7-5-15-9-13(1-3-17(15)11-19)14-2-4-18-12-20(22(25)26)8-6-16(18)10-14/h1-12H,(H,23,24)(H,25,26)
InChIKey
HWEIPTRZTZNYNO-UHFFFAOYSA-N
Compound name
6-(6-carboxynaphthalen-2-yl)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

342.0892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.096476 177.7
[M+Na]+ 365.078418 186.3
[M-H]- 341.081924 184.2
[M+NH4]+ 360.123023 191.1
[M+K]+ 381.052358 180.5
[M+H-H2O]+ 325.086460 169.1
[M+HCOO]- 387.087401 195.8
[M+CH3COO]- 401.103051 188.2
[M+Na-2H]- 363.063866 182.6
[M]+ 342.08865142 179.1
[M]- 342.08974858 179.1
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

patents stripe