CID 86429

Flufenacet

Structural Information

Molecular Formula
C14H13F4N3O2S
SMILES
CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F
InChI
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
InChIKey
IANUJLZYFUDJIH-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

30
References

26821
Patents

363.06647 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07375 176.0
[M+Na]+ 386.05569 184.0
[M-H]- 362.05919 176.9
[M+NH4]+ 381.10029 188.5
[M+K]+ 402.02963 180.8
[M+H-H2O]+ 346.06373 164.3
[M+HCOO]- 408.06467 187.8
[M+CH3COO]- 422.08032 216.1
[M+Na-2H]- 384.04114 173.9
[M]+ 363.06592 176.5
[M]- 363.06702 176.5
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.