CID 3425470

480438-95-7

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₃

SMILES

CC(=C)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C14H10F3NO3/c1-7(2)13(20)18-8-3-4-9-10(14(15,16)17)6-12(19)21-11(9)5-8/h3-6H,1H2,2H3,(H,18,20)

InChIKey

UDIRYDKCHVDUQV-UHFFFAOYSA-N

Compound name

2-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 297.06128 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.068556	161.3
[M+Na]+	320.050498	170.9
[M-H]-	296.054004	163.2
[M+NH4]+	315.095103	176.3
[M+K]+	336.024438	168.0
[M+H-H2O]+	280.058540	152.5
[M+HCOO]-	342.059481	178.5
[M+CH3COO]-	356.075131	205.2
[M+Na-2H]-	318.035946	165.8
[M]+	297.06073142	159.7
[M]-	297.06182858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe