CID 207441

30060-46-9

Structural Information

Molecular Formula
C12H11F3N2O3
SMILES
C1CN(C(=O)NC1=O)OCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H11F3N2O3/c13-12(14,15)9-3-1-2-8(6-9)7-20-17-5-4-10(18)16-11(17)19/h1-3,6H,4-5,7H2,(H,16,18,19)
InChIKey
YPLMMWUGVKXYFF-UHFFFAOYSA-N
Compound name
1-[[3-(trifluoromethyl)phenyl]methoxy]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07217 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07945 161.6
[M+Na]+ 311.06139 169.3
[M-H]- 287.06489 160.1
[M+NH4]+ 306.10599 173.6
[M+K]+ 327.03533 164.8
[M+H-H2O]+ 271.06943 150.8
[M+HCOO]- 333.07037 174.2
[M+CH3COO]- 347.08602 195.8
[M+Na-2H]- 309.04684 164.2
[M]+ 288.07162 154.9
[M]- 288.07272 154.9
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.