CID 94908

[1,1'-binaphthalene]-8,8'-dicarboxylic acid

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC2=C(C(=C1)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C22H14O4/c23-21(24)17-11-3-7-13-5-1-9-15(19(13)17)16-10-2-6-14-8-4-12-18(20(14)16)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKey
XGDAODQNSVFBGM-UHFFFAOYSA-N
Compound name
8-(8-carboxynaphthalen-1-yl)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

91
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

literature stripe

Patent stripe

patents stripe