CID 50465

Fluroxypyr

Structural Information

Molecular Formula
C7H5Cl2FN2O3
SMILES
C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F
InChI
InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
InChIKey
MEFQWPUMEMWTJP-UHFFFAOYSA-N
Compound name
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

46
References

31008
Patents

253.96613 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97341 143.1
[M+Na]+ 276.95535 154.7
[M-H]- 252.95885 142.9
[M+NH4]+ 271.99995 159.6
[M+K]+ 292.92929 149.7
[M+H-H2O]+ 236.96339 138.2
[M+HCOO]- 298.96433 155.2
[M+CH3COO]- 312.97998 191.8
[M+Na-2H]- 274.94080 145.6
[M]+ 253.96558 145.7
[M]- 253.96668 145.7
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.