CID 2760151

4-(naphthalen-1-yl)benzoic acid

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C17H12O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,18,19)
InChIKey
JLHKJIKIQYSZAZ-UHFFFAOYSA-N
Compound name
4-naphthalen-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

248.08372 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 154.3
[M+Na]+ 271.07294 162.3
[M-H]- 247.07644 160.8
[M+NH4]+ 266.11754 171.5
[M+K]+ 287.04688 157.2
[M+H-H2O]+ 231.08098 146.8
[M+HCOO]- 293.08192 175.5
[M+CH3COO]- 307.09757 166.6
[M+Na-2H]- 269.05839 160.8
[M]+ 248.08317 153.5
[M]- 248.08427 153.5
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