CID 4503403

Methyl (2,4,6-trichlorophenoxy)acetate

Structural Information

Molecular Formula
C9H7Cl3O3
SMILES
COC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O3/c1-14-8(13)4-15-9-6(11)2-5(10)3-7(9)12/h2-3H,4H2,1H3
InChIKey
VRXNMSKLUBJWBC-UHFFFAOYSA-N
Compound name
methyl 2-(2,4,6-trichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

267.94608 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953356 146.5
[M+Na]+ 290.935298 157.6
[M-H]- 266.938804 149.3
[M+NH4]+ 285.979903 164.9
[M+K]+ 306.909238 153.0
[M+H-H2O]+ 250.943340 143.8
[M+HCOO]- 312.944281 156.0
[M+CH3COO]- 326.959931 194.0
[M+Na-2H]- 288.920746 149.5
[M]+ 267.94553142 153.5
[M]- 267.94662858 153.5
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