CID 10633774

139149-21-6

Structural Information

Molecular Formula
C15H12O3
SMILES
C1C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C15H12O3/c16-14-10-18-15-8-12(6-7-13(14)15)17-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey
BJHOIWIKUDSVQJ-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

240.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.5
[M+Na]+ 263.06786 159.2
[M-H]- 239.07136 159.1
[M+NH4]+ 258.11246 169.5
[M+K]+ 279.04180 156.8
[M+H-H2O]+ 223.07590 143.9
[M+HCOO]- 285.07684 173.7
[M+CH3COO]- 299.09249 164.3
[M+Na-2H]- 261.05331 156.9
[M]+ 240.07809 153.0
[M]- 240.07919 153.0
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

patents stripe