CID 4088692

882748-81-4

Structural Information

Molecular Formula
C17H16FNO3
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC3=C(C=C2)OCO3)F
InChI
InChI=1S/C17H16FNO3/c1-11-2-4-13(9-14(11)18)19-7-6-15(20)12-3-5-16-17(8-12)22-10-21-16/h2-5,8-9,19H,6-7,10H2,1H3
InChIKey
YPKARXIIWIPSGY-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11142 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11870 170.7
[M+Na]+ 324.10064 182.8
[M+NH4]+ 319.14524 178.0
[M+K]+ 340.07458 178.1
[M-H]- 300.10414 176.1
[M+Na-2H]- 322.08609 175.3
[M]+ 301.11087 173.8
[M]- 301.11197 173.8
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.