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]+ 268.95336 146.5
[M+Na]+ 290.93530 157.6
[M-H]- 266.93880 149.3
[M+NH4]+ 285.97990 164.9
[M+K]+ 306.90924 153.0
[M+H-H2O]+ 250.94334 143.8
[M+HCOO]- 312.94428 156.0
[M+CH3COO]- 326.95993 194.0
[M+Na-2H]- 288.92075 149.5
[M]+ 267.94553 153.5
[M]- 267.94663 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