CID 4398743

477333-88-3

Structural Information

Molecular Formula
C16H14FNO3
SMILES
C1OC2=C(O1)C=C(C=C2)NCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FNO3/c17-12-3-1-11(2-4-12)14(19)7-8-18-13-5-6-15-16(9-13)21-10-20-15/h1-6,9,18H,7-8,10H2
InChIKey
MWGZEVYWACMQSK-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10304 166.0
[M+Na]+ 310.08498 178.0
[M+NH4]+ 305.12958 173.5
[M+K]+ 326.05892 173.4
[M-H]- 286.08848 171.4
[M+Na-2H]- 308.07043 171.2
[M]+ 287.09521 169.1
[M]- 287.09631 169.1
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

No patent data available for this compound.