CID 6447047

2-(1-naphthalenylmethylene)-3(2h)-benzofuranone

Structural Information

Molecular Formula
C19H12O2
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/3\C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C19H12O2/c20-19-16-10-3-4-11-17(16)21-18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H/b18-12+
InChIKey
YVPRZKWGPAJIKN-LDADJPATSA-N
Compound name
(2E)-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08374 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09102 160.4
[M+Na]+ 295.07296 170.1
[M-H]- 271.07646 170.0
[M+NH4]+ 290.11756 179.1
[M+K]+ 311.04690 164.9
[M+H-H2O]+ 255.08100 153.3
[M+HCOO]- 317.08194 181.9
[M+CH3COO]- 331.09759 173.5
[M+Na-2H]- 293.05841 166.3
[M]+ 272.08319 161.1
[M]- 272.08429 161.1
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

No patent data available for this compound.