CID 24212855

Methyl (((2,4,6-trichlorophenoxy)acetyl)amino)acetate hydrate

Structural Information

Molecular Formula
C11H10Cl3NO4
SMILES
COC(=O)CNC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H10Cl3NO4/c1-18-10(17)4-15-9(16)5-19-11-7(13)2-6(12)3-8(11)14/h2-3H,4-5H2,1H3,(H,15,16)
InChIKey
ZGLQHPXBLJYMOK-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.96753 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.97481 161.8
[M+Na]+ 347.95675 171.3
[M-H]- 323.96025 164.5
[M+NH4]+ 343.00135 177.6
[M+K]+ 363.93069 166.7
[M+H-H2O]+ 307.96479 158.6
[M+HCOO]- 369.96573 171.3
[M+CH3COO]- 383.98138 205.8
[M+Na-2H]- 345.94220 163.0
[M]+ 324.96698 169.2
[M]- 324.96808 169.2
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.