CID 2598876

3-(3-fluorophenyl)-n-(3-methylphenyl)-2-propenamide

Structural Information

Molecular Formula
C16H14FNO
SMILES
CC1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C16H14FNO/c1-12-4-2-7-15(10-12)18-16(19)9-8-13-5-3-6-14(17)11-13/h2-11H,1H3,(H,18,19)/b9-8+
InChIKey
NOTQCHRRRNPXMJ-CMDGGOBGSA-N
Compound name
(E)-3-(3-fluorophenyl)-N-(3-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10594 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11322 157.4
[M+Na]+ 278.09516 164.7
[M-H]- 254.09866 162.8
[M+NH4]+ 273.13976 174.0
[M+K]+ 294.06910 159.6
[M+H-H2O]+ 238.10320 148.9
[M+HCOO]- 300.10414 180.7
[M+CH3COO]- 314.11979 197.7
[M+Na-2H]- 276.08061 161.5
[M]+ 255.10539 155.4
[M]- 255.10649 155.4
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.