CID 3054666

Sgd 354-75

Structural Information

Molecular Formula
C20H22Cl2O3
SMILES
CCC(C)(C(=O)OCC)OC1=CC(=C(C=C1)CC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C20H22Cl2O3/c1-4-20(3,19(23)24-5-2)25-17-11-8-15(18(22)13-17)12-14-6-9-16(21)10-7-14/h6-11,13H,4-5,12H2,1-3H3
InChIKey
CXFXLTRJNHIWND-UHFFFAOYSA-N
Compound name
ethyl 2-[3-chloro-4-[(4-chlorophenyl)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 186.8
[M+Na]+ 403.08382 195.1
[M-H]- 379.08732 192.9
[M+NH4]+ 398.12842 200.5
[M+K]+ 419.05776 189.1
[M+H-H2O]+ 363.09186 180.4
[M+HCOO]- 425.09280 197.9
[M+CH3COO]- 439.10845 216.9
[M+Na-2H]- 401.06927 188.1
[M]+ 380.09405 195.2
[M]- 380.09515 195.2
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

No patent data available for this compound.