CID 11543208

14178-66-6

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
OHOPMPQDBXDVID-UHFFFAOYSA-N
Compound name
(3-methyl-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

236.08372 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 150.7
[M+Na]+ 259.07294 160.8
[M-H]- 235.07644 160.0
[M+NH4]+ 254.11754 170.1
[M+K]+ 275.04688 157.8
[M+H-H2O]+ 219.08098 144.3
[M+HCOO]- 281.08192 175.2
[M+CH3COO]- 295.09757 165.1
[M+Na-2H]- 257.05839 157.2
[M]+ 236.08317 154.4
[M]- 236.08427 154.4
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.