CID 4149879

37155-08-1

Structural Information

Molecular Formula
C16H16FNO2
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNO2/c1-20-15-8-6-14(7-9-15)18-11-10-16(19)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3
InChIKey
ZCRBFQHOFWLTHH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-methoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.11652 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12380 163.5
[M+Na]+ 296.10574 176.2
[M+NH4]+ 291.15034 170.9
[M+K]+ 312.07968 168.5
[M-H]- 272.10924 166.8
[M+Na-2H]- 294.09119 171.6
[M]+ 273.11597 166.1
[M]- 273.11707 166.1
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