CID 24212588

Methyl (2,3,4,6-tetrachlorophenoxy)acetate

Structural Information

Molecular Formula
C9H6Cl4O3
SMILES
COC(=O)COC1=C(C(=C(C=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl4O3/c1-15-6(14)3-16-9-5(11)2-4(10)7(12)8(9)13/h2H,3H2,1H3
InChIKey
BWXIOFUVYANUDG-UHFFFAOYSA-N
Compound name
methyl 2-(2,3,4,6-tetrachlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9071 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.91438 152.3
[M+Na]+ 324.89632 163.6
[M-H]- 300.89982 153.7
[M+NH4]+ 319.94092 169.1
[M+K]+ 340.87026 158.7
[M+H-H2O]+ 284.90436 150.4
[M+HCOO]- 346.90530 156.1
[M+CH3COO]- 360.92095 200.8
[M+Na-2H]- 322.88177 153.3
[M]+ 301.90655 158.5
[M]- 301.90765 158.5
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

No patent data available for this compound.