CID 11571392

Saflufenacil

Structural Information

Molecular Formula
C17H17ClF4N4O5S
SMILES
CC(C)N(C)S(=O)(=O)NC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C=C(N(C2=O)C)C(F)(F)F
InChI
InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)
InChIKey
GNHDVXLWBQYPJE-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-[methyl(propan-2-yl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

12334
Patents

500.05444 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.06172 201.5
[M+Na]+ 523.04366 212.0
[M-H]- 499.04716 203.5
[M+NH4]+ 518.08826 207.7
[M+K]+ 539.01760 207.0
[M+H-H2O]+ 483.05170 190.6
[M+HCOO]- 545.05264 207.4
[M+CH3COO]- 559.06829 244.1
[M+Na-2H]- 521.02911 200.1
[M]+ 500.05389 206.2
[M]- 500.05499 206.2
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.