CID 16723172

Sulfoxaflor

Structural Information

Molecular Formula
C10H10F3N3OS
SMILES
CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C
InChI
InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3
InChIKey
ZVQOOHYFBIDMTQ-UHFFFAOYSA-N
Compound name
[methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfanylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

177
References

39453
Patents

277.04968 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05696 160.5
[M+Na]+ 300.03890 170.1
[M-H]- 276.04240 160.4
[M+NH4]+ 295.08350 174.3
[M+K]+ 316.01284 167.6
[M+H-H2O]+ 260.04694 144.7
[M+HCOO]- 322.04788 170.8
[M+CH3COO]- 336.06353 209.7
[M+Na-2H]- 298.02435 162.9
[M]+ 277.04913 154.1
[M]- 277.05023 154.1
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