CID 6447487

76605-42-0

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]+ 257.053236 152.6
[M+Na]+ 279.035178 161.7
[M-H]- 255.038684 150.4
[M+NH4]+ 274.079783 167.2
[M+K]+ 295.009118 155.4
[M+H-H2O]+ 239.043220 143.3
[M+HCOO]- 301.044161 166.4
[M+CH3COO]- 315.059811 186.2
[M+Na-2H]- 277.020626 153.6
[M]+ 256.04541142 143.7
[M]- 256.04650858 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.