CID 9568688

16118-19-7

Structural Information

Molecular Formula
C15H10F3N3O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3O3/c16-15(17,18)10-3-1-2-9(6-10)12-5-4-11(24-12)7-19-21-8-13(22)20-14(21)23/h1-7H,8H2,(H,20,22,23)/b19-7+
InChIKey
VRYHPJFTKIBSCP-FBCYGCLPSA-N
Compound name
1-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.0674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07468 171.3
[M+Na]+ 360.05662 180.4
[M-H]- 336.06012 176.3
[M+NH4]+ 355.10122 184.0
[M+K]+ 376.03056 176.3
[M+H-H2O]+ 320.06466 160.9
[M+HCOO]- 382.06560 189.2
[M+CH3COO]- 396.08125 207.7
[M+Na-2H]- 358.04207 171.6
[M]+ 337.06685 167.8
[M]- 337.06795 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.