CID 3022007

Brn 5609110

Structural Information

Molecular Formula
C12H9ClF4N2O2
SMILES
CC1(C(=O)N(C(=O)N1Cl)C2=CC(=C(C=C2)F)C(F)(F)F)C
InChI
InChI=1S/C12H9ClF4N2O2/c1-11(2)9(20)18(10(21)19(11)13)6-3-4-8(14)7(5-6)12(15,16)17/h3-5H,1-2H3
InChIKey
ALZAEOOGINXIAH-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.02887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03615 161.1
[M+Na]+ 347.01809 174.7
[M-H]- 323.02159 161.5
[M+NH4]+ 342.06269 178.2
[M+K]+ 362.99203 168.7
[M+H-H2O]+ 307.02613 152.3
[M+HCOO]- 369.02707 171.8
[M+CH3COO]- 383.04272 205.4
[M+Na-2H]- 345.00354 161.3
[M]+ 324.02832 159.4
[M]- 324.02942 159.4
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.