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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17073 164.2
[M+Na]+ 290.15267 169.3
[M-H]- 266.15617 167.0
[M+NH4]+ 285.19727 181.1
[M+K]+ 306.12661 167.7
[M+H-H2O]+ 250.16071 155.8
[M+HCOO]- 312.16165 186.8
[M+CH3COO]- 326.17730 204.9
[M+Na-2H]- 288.13812 166.0
[M]+ 267.16290 167.5
[M]- 267.16400 167.5
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.