CID 1224066

N-(5-fluoro-2-methylphenyl)-3-(3-nitrophenyl)acrylamide

Structural Information

Molecular Formula
C16H13FN2O3
SMILES
CC1=C(C=C(C=C1)F)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H13FN2O3/c1-11-5-7-13(17)10-15(11)18-16(20)8-6-12-3-2-4-14(9-12)19(21)22/h2-10H,1H3,(H,18,20)/b8-6+
InChIKey
FKRQBEONGGSIGU-SOFGYWHQSA-N
Compound name
(E)-N-(5-fluoro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09831 166.5
[M+Na]+ 323.08025 172.8
[M-H]- 299.08375 172.0
[M+NH4]+ 318.12485 180.3
[M+K]+ 339.05419 164.3
[M+H-H2O]+ 283.08829 162.1
[M+HCOO]- 345.08923 190.7
[M+CH3COO]- 359.10488 200.0
[M+Na-2H]- 321.06570 170.9
[M]+ 300.09048 163.7
[M]- 300.09158 163.7
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.