CID 168373

Flumezin

Structural Information

Molecular Formula
C11H9F3N2O3
SMILES
CN1C(=O)N(C(=O)CO1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O3/c1-15-10(18)16(9(17)6-19-15)8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3
InChIKey
FYEWDLAVQKIKQE-UHFFFAOYSA-N
Compound name
2-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazinane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5165
Patents

274.05652 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06380 157.2
[M+Na]+ 297.04574 166.9
[M-H]- 273.04924 158.3
[M+NH4]+ 292.09034 169.5
[M+K]+ 313.01968 164.4
[M+H-H2O]+ 257.05378 146.6
[M+HCOO]- 319.05472 170.8
[M+CH3COO]- 333.07037 196.7
[M+Na-2H]- 295.03119 160.7
[M]+ 274.05597 153.0
[M]- 274.05707 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe