CID 156054198

(2r)-2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxypropanoic acid

Structural Information

Molecular Formula
C8H7Cl2FN2O3
SMILES
C[C@H](C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F
InChI
InChI=1S/C8H7Cl2FN2O3/c1-2(8(14)15)16-7-4(10)5(12)3(9)6(11)13-7/h2H,1H3,(H2,12,13)(H,14,15)/t2-/m1/s1
InChIKey
LEIWLFHGOGNSAD-UWTATZPHSA-N
Compound name
(2R)-2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

267.98178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98906 147.1
[M+Na]+ 290.97100 158.0
[M-H]- 266.97450 146.9
[M+NH4]+ 286.01560 163.0
[M+K]+ 306.94494 153.4
[M+H-H2O]+ 250.97904 142.2
[M+HCOO]- 312.97998 158.0
[M+CH3COO]- 326.99563 195.7
[M+Na-2H]- 288.95645 148.0
[M]+ 267.98123 149.5
[M]- 267.98233 149.5
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

patents stripe