CID 170002

3-benzoyl-2-naphthoic acid

Structural Information

Molecular Formula
C18H12O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2C(=O)O
InChI
InChI=1S/C18H12O3/c19-17(12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)11-16(15)18(20)21/h1-11H,(H,20,21)
InChIKey
GDYNSPPOLCIHSP-UHFFFAOYSA-N
Compound name
3-benzoylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

276.07864 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08592 161.0
[M+Na]+ 299.06786 168.3
[M-H]- 275.07136 167.4
[M+NH4]+ 294.11246 176.8
[M+K]+ 315.04180 163.7
[M+H-H2O]+ 259.07590 153.3
[M+HCOO]- 321.07684 181.2
[M+CH3COO]- 335.09249 197.9
[M+Na-2H]- 297.05331 165.9
[M]+ 276.07809 160.7
[M]- 276.07919 160.7
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