CID 15580

Isobutyl 2,4-dichlorophenoxyacetate

Structural Information

Molecular Formula
C12H14Cl2O3
SMILES
CC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3
InChIKey
GPSGZZSRFJXXBA-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1846
Patents

276.032 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03928 156.1
[M+Na]+ 299.02122 169.4
[M+NH4]+ 294.06582 163.9
[M+K]+ 314.99516 162.7
[M-H]- 275.02472 157.1
[M+Na-2H]- 297.00667 161.6
[M]+ 276.03145 158.8
[M]- 276.03255 158.8
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