CID 68464

3-benzylidenephthalide

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H
InChIKey
YRTPZXMEBGTPLM-UHFFFAOYSA-N
Compound name
3-benzylidene-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

1205
Patents

222.06808 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 146.5
[M+Na]+ 245.05730 155.7
[M-H]- 221.06080 155.2
[M+NH4]+ 240.10190 166.3
[M+K]+ 261.03124 152.1
[M+H-H2O]+ 205.06534 140.2
[M+HCOO]- 267.06628 169.8
[M+CH3COO]- 281.08193 160.5
[M+Na-2H]- 243.04275 152.8
[M]+ 222.06753 146.8
[M]- 222.06863 146.8
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.