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 156.8
[M+Na]+ 306.03484 167.1
[M-H]- 282.03834 158.8
[M+NH4]+ 301.07944 172.4
[M+K]+ 322.00878 163.9
[M+H-H2O]+ 266.04288 148.0
[M+HCOO]- 328.04382 175.4
[M+CH3COO]- 342.05947 201.2
[M+Na-2H]- 304.02029 163.0
[M]+ 283.04507 155.5
[M]- 283.04617 155.5
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