CID 6447047

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

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]+ 273.091016 160.4
[M+Na]+ 295.072958 170.1
[M-H]- 271.076464 170.0
[M+NH4]+ 290.117563 179.1
[M+K]+ 311.046898 164.9
[M+H-H2O]+ 255.081000 153.3
[M+HCOO]- 317.081941 181.9
[M+CH3COO]- 331.097591 173.5
[M+Na-2H]- 293.058406 166.3
[M]+ 272.08319142 161.1
[M]- 272.08428858 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.