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
3
Annotation Hits

9
References

35
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

literature stripe

Patent stripe

patents stripe