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

9
Patents

342.0892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09648 177.7
[M+Na]+ 365.07842 186.3
[M-H]- 341.08192 184.2
[M+NH4]+ 360.12302 191.1
[M+K]+ 381.05236 180.5
[M+H-H2O]+ 325.08646 169.1
[M+HCOO]- 387.08740 195.8
[M+CH3COO]- 401.10305 188.2
[M+Na-2H]- 363.06387 182.6
[M]+ 342.08865 179.1
[M]- 342.08975 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