CID 3054111

Ethyl 2-(2-chloro-4-(4-(2-ethoxy-1-methyl-2-oxoethoxy)phenoxy)phenoxy)propanoate

Structural Information

Molecular Formula
C22H25ClO7
SMILES
CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CC(=C(C=C2)OC(C)C(=O)OCC)Cl
InChI
InChI=1S/C22H25ClO7/c1-5-26-21(24)14(3)28-16-7-9-17(10-8-16)30-18-11-12-20(19(23)13-18)29-15(4)22(25)27-6-2/h7-15H,5-6H2,1-4H3
InChIKey
LNCDUHLOBCKRAP-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.12888 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13616 197.9
[M+Na]+ 459.11810 203.2
[M-H]- 435.12160 204.3
[M+NH4]+ 454.16270 208.0
[M+K]+ 475.09204 201.7
[M+H-H2O]+ 419.12614 189.8
[M+HCOO]- 481.12708 213.0
[M+CH3COO]- 495.14273 227.8
[M+Na-2H]- 457.10355 195.3
[M]+ 436.12833 209.5
[M]- 436.12943 209.5
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

No patent data available for this compound.