CID 49831143

Trifludimoxazin

Structural Information

Molecular Formula
C16H11F3N4O4S
SMILES
CN1C(=O)N(C(=O)N(C1=S)C)C2=CC3=C(C=C2F)OC(C(=O)N3CC#C)(F)F
InChI
InChI=1S/C16H11F3N4O4S/c1-4-5-22-10-7-9(8(17)6-11(10)27-16(18,19)12(22)24)23-13(25)20(2)15(28)21(3)14(23)26/h1,6-7H,5H2,2-3H3
InChIKey
AZHZOGYUMMIAOF-UHFFFAOYSA-N
Compound name
1,5-dimethyl-6-sulfanylidene-3-(2,2,7-trifluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-1,3,5-triazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4865
Patents

412.04532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.05260 190.5
[M+Na]+ 435.03454 202.5
[M+NH4]+ 430.07914 190.7
[M+K]+ 451.00848 191.3
[M-H]- 411.03804 180.4
[M+Na-2H]- 433.01999 189.5
[M]+ 412.04477 188.8
[M]- 412.04587 188.8
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