CID 116692158

3-((2-fluorophenyl)methoxy)-1-phenylpropan-1-one

Structural Information

Molecular Formula
C16H15FO2
SMILES
C1=CC=C(C=C1)C(=O)CCOCC2=CC=CC=C2F
InChI
InChI=1S/C16H15FO2/c17-15-9-5-4-8-14(15)12-19-11-10-16(18)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey
NHHVBHSSDBJSOP-UHFFFAOYSA-N
Compound name
3-[(2-fluorophenyl)methoxy]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10562 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11290 157.8
[M+Na]+ 281.09484 164.4
[M-H]- 257.09834 162.8
[M+NH4]+ 276.13944 174.1
[M+K]+ 297.06878 160.5
[M+H-H2O]+ 241.10288 149.0
[M+HCOO]- 303.10382 180.0
[M+CH3COO]- 317.11947 195.9
[M+Na-2H]- 279.08029 162.1
[M]+ 258.10507 158.3
[M]- 258.10617 158.3
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.