CID 930491

477320-46-0

Structural Information

Molecular Formula
C16H16FNO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3
InChIKey
BNDXUDMQUIZROK-UHFFFAOYSA-N
Compound name
3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
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 161.5
[M+Na]+ 296.10574 168.1
[M-H]- 272.10924 166.7
[M+NH4]+ 291.15034 177.2
[M+K]+ 312.07968 164.2
[M+H-H2O]+ 256.11378 152.5
[M+HCOO]- 318.11472 184.7
[M+CH3COO]- 332.13037 202.0
[M+Na-2H]- 294.09119 165.5
[M]+ 273.11597 161.7
[M]- 273.11707 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.