CID 9468

Dipropylaminoethyl p-fluorobenzoate hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₂FNO₂

SMILES

CCCN(CCC)CCOC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C15H22FNO2/c1-3-9-17(10-4-2)11-12-19-15(18)13-5-7-14(16)8-6-13/h5-8H,3-4,9-12H2,1-2H3

InChIKey

XMCRIJDSBFFGCQ-UHFFFAOYSA-N

Compound name

2-(dipropylamino)ethyl 4-fluorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.16345 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.170726	164.2
[M+Na]+	290.152668	169.3
[M-H]-	266.156174	167.0
[M+NH4]+	285.197273	181.1
[M+K]+	306.126608	167.7
[M+H-H2O]+	250.160710	155.8
[M+HCOO]-	312.161651	186.8
[M+CH3COO]-	326.177301	204.9
[M+Na-2H]-	288.138116	166.0
[M]+	267.16290142	167.5
[M]-	267.16399858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.