CID 16735

(p-fluorophenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C12H16FNO3
SMILES
CN(C)CCOC(=O)COC1=CC=C(C=C1)F
InChI
InChI=1S/C12H16FNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKey
LUNCUCCYIKPZIY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-fluorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11142 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11870 153.9
[M+Na]+ 264.10064 163.8
[M+NH4]+ 259.14524 160.4
[M+K]+ 280.07458 158.5
[M-H]- 240.10414 154.2
[M+Na-2H]- 262.08609 158.9
[M]+ 241.11087 155.1
[M]- 241.11197 155.1
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.