CID 75481860

1-amino-3,5-bis(2,2,2-trifluoroethyl)-1,3,5-triazinane-2,4,6-trione

Structural Information

Molecular Formula
C7H6F6N4O3
SMILES
C(C(F)(F)F)N1C(=O)N(C(=O)N(C1=O)N)CC(F)(F)F
InChI
InChI=1S/C7H6F6N4O3/c8-6(9,10)1-15-3(18)16(2-7(11,12)13)5(20)17(14)4(15)19/h1-2,14H2
InChIKey
FAESQJXMRAFEMM-UHFFFAOYSA-N
Compound name
1-amino-3,5-bis(2,2,2-trifluoroethyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.03442 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04170 158.2
[M+Na]+ 331.02364 171.8
[M-H]- 307.02714 151.6
[M+NH4]+ 326.06824 169.2
[M+K]+ 346.99758 167.3
[M+H-H2O]+ 291.03168 146.3
[M+HCOO]- 353.03262 171.0
[M+CH3COO]- 367.04827 204.1
[M+Na-2H]- 329.00909 161.2
[M]+ 308.03387 152.4
[M]- 308.03497 152.4
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.