CID 24235

Diethylaminopropyl p-fluorobenzoate hydrochloride

Structural Information

Molecular Formula
C14H20FNO2
SMILES
CCN(CC)CCCOC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C14H20FNO2/c1-3-16(4-2)10-5-11-18-14(17)12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKey
FQBNFACDYUMMAV-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14781 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15509 159.5
[M+Na]+ 276.13703 165.0
[M-H]- 252.14053 162.5
[M+NH4]+ 271.18163 176.9
[M+K]+ 292.11097 163.7
[M+H-H2O]+ 236.14507 151.3
[M+HCOO]- 298.14601 182.5
[M+CH3COO]- 312.16166 201.9
[M+Na-2H]- 274.12248 161.9
[M]+ 253.14726 162.4
[M]- 253.14836 162.4
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.