CID 4454757

480438-94-6

Structural Information

Molecular Formula
C13H8F3NO3
SMILES
C=CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
InChI
InChI=1S/C13H8F3NO3/c1-2-11(18)17-7-3-4-8-9(13(14,15)16)6-12(19)20-10(8)5-7/h2-6H,1H2,(H,17,18)
InChIKey
WJZFVBAYCVHWRE-UHFFFAOYSA-N
Compound name
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

283.04562 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05290 162.2
[M+Na]+ 306.03484 171.8
[M+NH4]+ 301.07944 166.6
[M+K]+ 322.00878 167.0
[M-H]- 282.03834 160.3
[M+Na-2H]- 304.02029 164.9
[M]+ 283.04507 162.7
[M]- 283.04617 162.7
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