CID 11550561

14176-43-3

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1=CC2=C(C=C1)OC(=C2C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O2/c1-11-8-9-15-14(10-11)12(2)17(19-15)16(18)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
HJXGOOPWUUVBAP-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

250.09938 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 155.2
[M+Na]+ 273.08860 165.8
[M-H]- 249.09210 164.7
[M+NH4]+ 268.13320 174.3
[M+K]+ 289.06254 162.5
[M+H-H2O]+ 233.09664 148.8
[M+HCOO]- 295.09758 179.4
[M+CH3COO]- 309.11323 169.6
[M+Na-2H]- 271.07405 160.4
[M]+ 250.09883 159.7
[M]- 250.09993 159.7
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.