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-fluoropyridin-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 46
References: 28626
Patents: 253.96613 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe