CID 24252

Diethylaminoethyl p-fluorobenzoate hydrochloride

Structural Information

Molecular Formula
C13H18FNO2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C13H18FNO2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey
FLZPJYSTEZNMFW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13216 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13944 154.7
[M+Na]+ 262.12138 160.7
[M-H]- 238.12488 158.0
[M+NH4]+ 257.16598 172.8
[M+K]+ 278.09532 159.6
[M+H-H2O]+ 222.12942 146.8
[M+HCOO]- 284.13036 178.1
[M+CH3COO]- 298.14601 198.9
[M+Na-2H]- 260.10683 157.7
[M]+ 239.13161 157.3
[M]- 239.13271 157.3
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.