CID 40055

51550-64-2

Structural Information

Molecular Formula
C14H18Cl2O3
SMILES
CC(C)COC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H18Cl2O3/c1-10(2)9-19-14(17)4-3-7-18-13-6-5-11(15)8-12(13)16/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKey
ASZGOMRWZJMION-UHFFFAOYSA-N
Compound name
2-methylpropyl 4-(2,4-dichlorophenoxy)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07058 165.0
[M+Na]+ 327.05252 178.0
[M+NH4]+ 322.09712 172.5
[M+K]+ 343.02646 170.7
[M-H]- 303.05602 166.0
[M+Na-2H]- 325.03797 170.0
[M]+ 304.06275 167.7
[M]- 304.06385 167.7
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.