CID 91701

Fluazifop

Structural Information

Molecular Formula
C15H12F3NO4
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)
InChIKey
YUVKUEAFAVKILW-UHFFFAOYSA-N
Compound name
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

29084
Patents

327.07184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.079116 169.2
[M+Na]+ 350.061058 176.7
[M-H]- 326.064564 169.5
[M+NH4]+ 345.105663 180.7
[M+K]+ 366.034998 173.5
[M+H-H2O]+ 310.069100 158.5
[M+HCOO]- 372.070041 184.6
[M+CH3COO]- 386.085691 204.4
[M+Na-2H]- 348.046506 171.7
[M]+ 327.07129142 167.9
[M]- 327.07238858 167.9
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