CID 6447487

(5z)-5-[3-(trifluoromethyl)benzylidene]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C11H7F3N2O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C\2/C(=O)NC(=O)N2
InChI
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18)/b8-5-
InChIKey
MILYCRZXXXKJFB-YVMONPNESA-N
Compound name
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.04596 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05324 152.6
[M+Na]+ 279.03518 161.7
[M-H]- 255.03868 150.4
[M+NH4]+ 274.07978 167.2
[M+K]+ 295.00912 155.4
[M+H-H2O]+ 239.04322 143.3
[M+HCOO]- 301.04416 166.4
[M+CH3COO]- 315.05981 186.2
[M+Na-2H]- 277.02063 153.6
[M]+ 256.04541 143.7
[M]- 256.04651 143.7
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.