CID 20032

4-(p-((2-fluoroethyl)amino)phenyl)butyric acid methyl ester hydrochloride

Structural Information

Molecular Formula
C13H18FNO2
SMILES
COC(=O)CCCC1=CC=C(C=C1)NCCF
InChI
InChI=1S/C13H18FNO2/c1-17-13(16)4-2-3-11-5-7-12(8-6-11)15-10-9-14/h5-8,15H,2-4,9-10H2,1H3
InChIKey
GWHVQLKPAOTZAC-UHFFFAOYSA-N
Compound name
methyl 4-[4-(2-fluoroethylamino)phenyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13216 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13944 154.6
[M+Na]+ 262.12138 160.4
[M-H]- 238.12488 156.4
[M+NH4]+ 257.16598 172.0
[M+K]+ 278.09532 157.9
[M+H-H2O]+ 222.12942 146.8
[M+HCOO]- 284.13036 177.5
[M+CH3COO]- 298.14601 195.4
[M+Na-2H]- 260.10683 158.4
[M]+ 239.13161 155.9
[M]- 239.13271 155.9
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.