CID 9952

Dibutylaminopropyl p-fluorobenzoate hydrochloride

Structural Information

Molecular Formula
C18H28FNO2
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C18H28FNO2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3
InChIKey
PYWHXNIRHAPFMS-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.21042 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21770 177.9
[M+Na]+ 332.19964 187.1
[M+NH4]+ 327.24424 183.9
[M+K]+ 348.17358 179.7
[M-H]- 308.20314 178.5
[M+Na-2H]- 330.18509 181.7
[M]+ 309.20987 179.1
[M]- 309.21097 179.1
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.