CID 21933

4-ethoxy-3-fluorobenzoic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H22FNO3
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C=C1)OCC)F
InChI
InChI=1S/C15H22FNO3/c1-4-17(5-2)9-10-20-15(18)12-7-8-14(19-6-3)13(16)11-12/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey
PVZIDJRBATWCDT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-ethoxy-3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1584 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16568 166.5
[M+Na]+ 306.14762 172.5
[M-H]- 282.15112 169.7
[M+NH4]+ 301.19222 183.0
[M+K]+ 322.12156 171.5
[M+H-H2O]+ 266.15566 158.1
[M+HCOO]- 328.15660 189.4
[M+CH3COO]- 342.17225 208.1
[M+Na-2H]- 304.13307 167.8
[M]+ 283.15785 171.6
[M]- 283.15895 171.6
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.