CID 3054667

Sgd 36-78

Structural Information

Molecular Formula
C20H22Cl2O3
SMILES
CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C20H22Cl2O3/c1-4-20(3,19(23)24-5-2)25-17-10-6-14(7-11-17)12-15-8-9-16(21)13-18(15)22/h6-11,13H,4-5,12H2,1-3H3
InChIKey
AKHBKFZHHXGSCC-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(2,4-dichlorophenyl)methyl]phenoxy]-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0946 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10188 188.5
[M+Na]+ 403.08382 203.6
[M+NH4]+ 398.12842 196.2
[M+K]+ 419.05776 194.9
[M-H]- 379.08732 191.9
[M+Na-2H]- 401.06927 196.0
[M]+ 380.09405 192.5
[M]- 380.09515 192.5
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.