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

97
Patents

240.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 150.5
[M+Na]+ 263.067858 159.2
[M-H]- 239.071364 159.1
[M+NH4]+ 258.112463 169.5
[M+K]+ 279.041798 156.8
[M+H-H2O]+ 223.075900 143.9
[M+HCOO]- 285.076841 173.7
[M+CH3COO]- 299.092491 164.3
[M+Na-2H]- 261.053306 156.9
[M]+ 240.07809142 153.0
[M]- 240.07918858 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