CID 10319

495-65-8

Structural Information

Molecular Formula
C17H26FNO2
SMILES
CCCCN(CCCC)CCOC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C17H26FNO2/c1-3-5-11-19(12-6-4-2)13-14-21-17(20)15-7-9-16(18)10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKey
SYWXLYOIRRXOTR-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.19476 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20204 173.6
[M+Na]+ 318.18398 177.8
[M-H]- 294.18748 176.0
[M+NH4]+ 313.22858 189.3
[M+K]+ 334.15792 175.7
[M+H-H2O]+ 278.19202 164.7
[M+HCOO]- 340.19296 195.5
[M+CH3COO]- 354.20861 210.9
[M+Na-2H]- 316.16943 174.3
[M]+ 295.19421 177.5
[M]- 295.19531 177.5
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.