CID 23391228

4-fluorophenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C15H13FO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FO3/c1-2-18-13-7-3-11(4-8-13)15(17)19-14-9-5-12(16)6-10-14/h3-10H,2H2,1H3
InChIKey
NBXJDDYMZYLJIJ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.08487 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.092146 156.1
[M+Na]+ 283.074088 164.1
[M-H]- 259.077594 161.7
[M+NH4]+ 278.118693 172.7
[M+K]+ 299.048028 161.1
[M+H-H2O]+ 243.082130 147.5
[M+HCOO]- 305.083071 178.9
[M+CH3COO]- 319.098721 195.4
[M+Na-2H]- 281.059536 160.3
[M]+ 260.08432142 158.0
[M]- 260.08541858 158.0
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

patents stripe