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

28879
Patents

327.07184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07912 169.2
[M+Na]+ 350.06106 176.7
[M-H]- 326.06456 169.5
[M+NH4]+ 345.10566 180.7
[M+K]+ 366.03500 173.5
[M+H-H2O]+ 310.06910 158.5
[M+HCOO]- 372.07004 184.6
[M+CH3COO]- 386.08569 204.4
[M+Na-2H]- 348.04651 171.7
[M]+ 327.07129 167.9
[M]- 327.07239 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.