CID 3054637

Brn 2009757

Structural Information

Molecular Formula
C20H23ClO3
SMILES
CCOC(=O)C(C(C)C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H23ClO3/c1-4-23-20(22)19(14(2)3)24-18-11-7-16(8-12-18)13-15-5-9-17(21)10-6-15/h5-12,14,19H,4,13H2,1-3H3
InChIKey
QIEXWGFECOONPT-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13358 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14086 181.4
[M+Na]+ 369.12280 187.4
[M-H]- 345.12630 187.5
[M+NH4]+ 364.16740 195.3
[M+K]+ 385.09674 183.0
[M+H-H2O]+ 329.13084 173.9
[M+HCOO]- 391.13178 197.1
[M+CH3COO]- 405.14743 213.0
[M+Na-2H]- 367.10825 180.8
[M]+ 346.13303 187.4
[M]- 346.13413 187.4
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.