CID 11211184

Flupyrazofos

Structural Information

Molecular Formula
C14H16F3N2O3PS
SMILES
CCOP(=S)(OCC)OC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H16F3N2O3PS/c1-3-20-23(24,21-4-2)22-13-10-12(14(15,16)17)18-19(13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
JZUKGAJJLZRHGL-UHFFFAOYSA-N
Compound name
diethoxy-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5192
Patents

380.05713 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06441 182.0
[M+Na]+ 403.04635 190.3
[M-H]- 379.04985 181.5
[M+NH4]+ 398.09095 194.1
[M+K]+ 419.02029 186.6
[M+H-H2O]+ 363.05439 169.1
[M+HCOO]- 425.05533 199.4
[M+CH3COO]- 439.07098 213.6
[M+Na-2H]- 401.03180 180.1
[M]+ 380.05658 185.6
[M]- 380.05768 185.6
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