CID 187897

56282-14-5

Structural Information

Molecular Formula
C18H12O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C18H12O2/c19-18-16-10-4-3-9-15(16)17(20-18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChIKey
HSRKFGNBWKOZQH-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.08374 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09102 156.4
[M+Na]+ 283.07296 166.1
[M-H]- 259.07646 166.1
[M+NH4]+ 278.11756 175.6
[M+K]+ 299.04690 161.8
[M+H-H2O]+ 243.08100 149.4
[M+HCOO]- 305.08194 178.0
[M+CH3COO]- 319.09759 169.9
[M+Na-2H]- 281.05841 162.9
[M]+ 260.08319 157.5
[M]- 260.08429 157.5
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