CID 92213

4841-20-7

Structural Information

Molecular Formula
C10H9Cl3O3
SMILES
CC(C(=O)OC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H9Cl3O3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3
InChIKey
YTAXYXOJOYIQQO-UHFFFAOYSA-N
Compound name
methyl 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

281.96173 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96901 149.9
[M+Na]+ 304.95095 160.5
[M-H]- 280.95445 152.7
[M+NH4]+ 299.99555 167.8
[M+K]+ 320.92489 156.0
[M+H-H2O]+ 264.95899 147.3
[M+HCOO]- 326.95993 158.3
[M+CH3COO]- 340.97558 197.7
[M+Na-2H]- 302.93640 151.4
[M]+ 281.96118 156.9
[M]- 281.96228 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe