CID 54675950

Brn 1332188

Structural Information

Molecular Formula
C20H13F3O5
SMILES
COC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H13F3O5/c1-27-18(25)15(12-8-5-9-13(10-12)20(21,22)23)17-16(24)14(19(26)28-17)11-6-3-2-4-7-11/h2-10,24H,1H3/b17-15-
InChIKey
PRUQBNLUDKQLCM-ICFOKQHNSA-N
Compound name
methyl (2Z)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-[3-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0715 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07878 193.6
[M+Na]+ 413.06072 202.3
[M+NH4]+ 408.10532 196.5
[M+K]+ 429.03466 199.7
[M-H]- 389.06422 192.8
[M+Na-2H]- 411.04617 196.4
[M]+ 390.07095 194.2
[M]- 390.07205 194.2
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.