CID 76667

5,5-dimethyl-3-((trichloromethyl)thio)hydantoin

Structural Information

Molecular Formula
C6H7Cl3N2O2S
SMILES
CC1(C(=O)N(C(=O)N1)SC(Cl)(Cl)Cl)C
InChI
InChI=1S/C6H7Cl3N2O2S/c1-5(2)3(12)11(4(13)10-5)14-6(7,8)9/h1-2H3,(H,10,13)
InChIKey
FBPYJLYICYPYDV-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

275.92938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.93666 151.6
[M+Na]+ 298.91860 162.1
[M-H]- 274.92210 150.8
[M+NH4]+ 293.96320 170.2
[M+K]+ 314.89254 156.8
[M+H-H2O]+ 258.92664 149.3
[M+HCOO]- 320.92758 149.9
[M+CH3COO]- 334.94323 188.7
[M+Na-2H]- 296.90405 151.4
[M]+ 275.92883 153.4
[M]- 275.92993 153.4
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

patents stripe