CID 94596

Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, methyl ester

Structural Information

Molecular Formula
C8H6Cl3NO3
SMILES
COC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl3NO3/c1-14-6(13)3-15-8-5(10)2-4(9)7(11)12-8/h2H,3H2,1H3
InChIKey
MNYBZEHWPRTNJY-UHFFFAOYSA-N
Compound name
methyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

268.9413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.94858 145.3
[M+Na]+ 291.93052 156.6
[M-H]- 267.93402 146.7
[M+NH4]+ 286.97512 162.3
[M+K]+ 307.90446 152.3
[M+H-H2O]+ 251.93856 141.4
[M+HCOO]- 313.93950 153.6
[M+CH3COO]- 327.95515 193.6
[M+Na-2H]- 289.91597 148.8
[M]+ 268.94075 152.1
[M]- 268.94185 152.1
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