CID 95808

6272-40-8

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C15H10O2/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10H
InChIKey
DZRJNLPOTUVETG-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

246
Patents

222.06808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 146.1
[M+Na]+ 245.057298 155.7
[M-H]- 221.060804 155.2
[M+NH4]+ 240.101903 165.7
[M+K]+ 261.031238 152.9
[M+H-H2O]+ 205.065340 139.6
[M+HCOO]- 267.066281 171.0
[M+CH3COO]- 281.081931 160.6
[M+Na-2H]- 243.042746 153.8
[M]+ 222.06753142 149.1
[M]- 222.06862858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe