CID 62029814

2-(benzyloxy)-1-(4-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C15H13FO2
SMILES
C1=CC=C(C=C1)COCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FO2/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
MQDGSYIJHBYOQX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-phenylmethoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09723 153.0
[M+Na]+ 267.07917 160.1
[M-H]- 243.08267 158.2
[M+NH4]+ 262.12377 170.0
[M+K]+ 283.05311 156.5
[M+H-H2O]+ 227.08721 144.5
[M+HCOO]- 289.08815 175.7
[M+CH3COO]- 303.10380 192.9
[M+Na-2H]- 265.06462 158.0
[M]+ 244.08940 153.3
[M]- 244.09050 153.3
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.