CID 103600

Ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate

Structural Information

Molecular Formula
C15H18Cl2O3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2CC2(Cl)Cl
InChI
InChI=1S/C15H18Cl2O3/c1-4-19-13(18)14(2,3)20-11-7-5-10(6-8-11)12-9-15(12,16)17/h5-8,12H,4,9H2,1-3H3
InChIKey
UHYJTDLWNOQAFE-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

316.0633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07058 162.6
[M+Na]+ 339.05252 172.6
[M-H]- 315.05602 169.5
[M+NH4]+ 334.09712 176.0
[M+K]+ 355.02646 168.2
[M+H-H2O]+ 299.06056 158.6
[M+HCOO]- 361.06150 174.4
[M+CH3COO]- 375.07715 205.8
[M+Na-2H]- 337.03797 166.7
[M]+ 316.06275 172.2
[M]- 316.06385 172.2
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