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

18
Patents

297.06128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 161.3
[M+Na]+ 320.05050 170.9
[M-H]- 296.05400 163.2
[M+NH4]+ 315.09510 176.3
[M+K]+ 336.02444 168.0
[M+H-H2O]+ 280.05854 152.5
[M+HCOO]- 342.05948 178.5
[M+CH3COO]- 356.07513 205.2
[M+Na-2H]- 318.03595 165.8
[M]+ 297.06073 159.7
[M]- 297.06183 159.7
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

patents stripe