CID 5463802

Ec 407-550-4

Structural Information

Molecular Formula
C8H7Cl2FN2O3
SMILES
COC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F
InChI
InChI=1S/C8H7Cl2FN2O3/c1-15-3(14)2-16-8-5(10)6(12)4(9)7(11)13-8/h2H2,1H3,(H2,12,13)
InChIKey
GIIKFBXVGYJLEK-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

267.98178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98906 147.7
[M+Na]+ 290.97100 159.3
[M-H]- 266.97450 148.7
[M+NH4]+ 286.01560 164.5
[M+K]+ 306.94494 155.0
[M+H-H2O]+ 250.97904 142.2
[M+HCOO]- 312.97998 161.0
[M+CH3COO]- 326.99563 196.4
[M+Na-2H]- 288.95645 150.2
[M]+ 267.98123 152.4
[M]- 267.98233 152.4
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