CID 3054665

Brn 3009118

Structural Information

Molecular Formula
C23H27ClO3
SMILES
CCC(C)(C(=O)OCC)OC1=C(C=C(C=C1)CC2=CC=C(C=C2)Cl)CC=C
InChI
InChI=1S/C23H27ClO3/c1-5-8-19-16-18(15-17-9-12-20(24)13-10-17)11-14-21(19)27-23(4,6-2)22(25)26-7-3/h5,9-14,16H,1,6-8,15H2,2-4H3
InChIKey
YRTOCOXCARNANO-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4-chlorophenyl)methyl]-2-prop-2-enylphenoxy]-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1649 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17218 194.1
[M+Na]+ 409.15412 201.0
[M-H]- 385.15762 200.3
[M+NH4]+ 404.19872 206.9
[M+K]+ 425.12806 194.9
[M+H-H2O]+ 369.16216 186.5
[M+HCOO]- 431.16310 209.3
[M+CH3COO]- 445.17875 220.9
[M+Na-2H]- 407.13957 194.5
[M]+ 386.16435 201.6
[M]- 386.16545 201.6
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.