CID 310235

Nsc213712

Structural Information

Molecular Formula
C14H13F3N2O3
SMILES
CCCCN1C(=O)C(=O)N(C1=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C14H13F3N2O3/c1-2-3-8-18-11(20)12(21)19(13(18)22)10-7-5-4-6-9(10)14(15,16)17/h4-7H,2-3,8H2,1H3
InChIKey
YJZMGFWZQWQTLJ-UHFFFAOYSA-N
Compound name
1-butyl-3-[2-(trifluoromethyl)phenyl]imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09511 167.1
[M+Na]+ 337.07705 177.4
[M-H]- 313.08055 168.0
[M+NH4]+ 332.12165 181.3
[M+K]+ 353.05099 172.8
[M+H-H2O]+ 297.08509 157.2
[M+HCOO]- 359.08603 183.1
[M+CH3COO]- 373.10168 205.4
[M+Na-2H]- 335.06250 166.5
[M]+ 314.08728 165.3
[M]- 314.08838 165.3
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.