CID 3073222

(2,3-dihydro-2-methyl-5-benzofuranyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C16H13FO2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FO2/c1-10-8-13-9-12(4-7-15(13)19-10)16(18)11-2-5-14(17)6-3-11/h2-7,9-10H,8H2,1H3
InChIKey
FTXAULGMALFERT-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09725 158.0
[M+Na]+ 279.07919 171.8
[M+NH4]+ 274.12379 166.8
[M+K]+ 295.05313 166.2
[M-H]- 255.08269 162.5
[M+Na-2H]- 277.06464 164.3
[M]+ 256.08942 161.3
[M]- 256.09052 161.3
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.