CID 78723

2-(1-naphthoyl)benzoic acid

Structural Information

Molecular Formula
C18H12O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H12O3/c19-17(15-9-3-4-10-16(15)18(20)21)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,20,21)
InChIKey
OXCYAVHGYGKEJY-UHFFFAOYSA-N
Compound name
2-(naphthalene-1-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

34
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 161.6
[M+Na]+ 299.06786 176.9
[M+NH4]+ 294.11246 170.1
[M+K]+ 315.04180 169.4
[M-H]- 275.07136 166.1
[M+Na-2H]- 297.05331 170.5
[M]+ 276.07809 165.1
[M]- 276.07919 165.1
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