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 178.2
[M+Na]+ 332.19964 182.0
[M-H]- 308.20314 180.5
[M+NH4]+ 327.24424 193.3
[M+K]+ 348.17358 179.7
[M+H-H2O]+ 292.20768 169.2
[M+HCOO]- 354.20862 199.8
[M+CH3COO]- 368.22427 213.8
[M+Na-2H]- 330.18509 178.4
[M]+ 309.20987 182.6
[M]- 309.21097 182.6
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.