CID 2758968

4'-(3-fluorobenzyloxy)acetophenone

Structural Information

Molecular Formula
C15H13FO2
SMILES
CC(=O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C15H13FO2/c1-11(17)13-5-7-15(8-6-13)18-10-12-3-2-4-14(16)9-12/h2-9H,10H2,1H3
InChIKey
MZKVEEAJHDPMIG-UHFFFAOYSA-N
Compound name
1-[4-[(3-fluorophenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

244.08995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09723 152.5
[M+Na]+ 267.07917 160.5
[M-H]- 243.08267 158.1
[M+NH4]+ 262.12377 169.8
[M+K]+ 283.05311 157.0
[M+H-H2O]+ 227.08721 144.2
[M+HCOO]- 289.08815 175.1
[M+CH3COO]- 303.10380 194.0
[M+Na-2H]- 265.06462 156.8
[M]+ 244.08940 153.1
[M]- 244.09050 153.1
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

patents stripe