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 152.9
[M+Na]+ 264.10064 159.3
[M-H]- 240.10414 156.4
[M+NH4]+ 259.14524 170.8
[M+K]+ 280.07458 159.0
[M+H-H2O]+ 224.10868 144.9
[M+HCOO]- 286.10962 176.9
[M+CH3COO]- 300.12527 197.9
[M+Na-2H]- 262.08609 156.5
[M]+ 241.11087 156.6
[M]- 241.11197 156.6
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.