CID 453199

Dd-cf3-ddt

Structural Information

Molecular Formula
C10H9F3N2O4
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C(F)(F)F
InChI
InChI=1S/C10H9F3N2O4/c11-10(12,13)6-3-15(9(18)14-8(6)17)7-2-1-5(4-16)19-7/h1-3,5,7,16H,4H2,(H,14,17,18)/t5-,7+/m0/s1
InChIKey
KIFYNCJYLTYWRU-CAHLUQPWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.05145 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05873 153.7
[M+Na]+ 301.04067 164.5
[M-H]- 277.04417 153.1
[M+NH4]+ 296.08527 166.5
[M+K]+ 317.01461 161.0
[M+H-H2O]+ 261.04871 144.5
[M+HCOO]- 323.04965 168.4
[M+CH3COO]- 337.06530 190.3
[M+Na-2H]- 299.02612 156.5
[M]+ 278.05090 150.5
[M]- 278.05200 150.5
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