CID 853048

Ethyl 4-[(4-chlorophenoxy)methyl]benzoate

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3
InChIKey
WIWRBXDBDKCADO-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-chlorophenoxy)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07098 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 163.6
[M+Na]+ 313.06020 172.0
[M-H]- 289.06370 170.3
[M+NH4]+ 308.10480 180.0
[M+K]+ 329.03414 167.4
[M+H-H2O]+ 273.06824 156.6
[M+HCOO]- 335.06918 182.7
[M+CH3COO]- 349.08483 199.4
[M+Na-2H]- 311.04565 167.5
[M]+ 290.07043 169.3
[M]- 290.07153 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.