CID 13412526

Brn 5632127

Structural Information

Molecular Formula
C12H9F4N3O4
SMILES
CC1(C(=O)N(C(=O)N1[N+](=O)[O-])C2=CC(=C(C=C2)F)C(F)(F)F)C
InChI
InChI=1S/C12H9F4N3O4/c1-11(2)9(20)17(10(21)18(11)19(22)23)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3
InChIKey
FEDBTMGYAGWDBP-UHFFFAOYSA-N
Compound name
3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1-nitroimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.05292 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06020 163.1
[M+Na]+ 358.04214 174.1
[M-H]- 334.04564 163.8
[M+NH4]+ 353.08674 177.7
[M+K]+ 374.01608 166.4
[M+H-H2O]+ 318.05018 158.5
[M+HCOO]- 380.05112 179.5
[M+CH3COO]- 394.06677 202.7
[M+Na-2H]- 356.02759 167.0
[M]+ 335.05237 158.0
[M]- 335.05347 158.0
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.