CID 14376

1148-78-3

Structural Information

Molecular Formula
C13H17F2NO2
SMILES
C1=CC(=CC(=C1)N(CCF)CCF)CCC(=O)O
InChI
InChI=1S/C13H17F2NO2/c14-6-8-16(9-7-15)12-3-1-2-11(10-12)4-5-13(17)18/h1-3,10H,4-9H2,(H,17,18)
InChIKey
PVCKFWPANVOENB-UHFFFAOYSA-N
Compound name
3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12274 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13002 157.6
[M+Na]+ 280.11196 163.1
[M-H]- 256.11546 157.9
[M+NH4]+ 275.15656 174.0
[M+K]+ 296.08590 160.6
[M+H-H2O]+ 240.12000 148.8
[M+HCOO]- 302.12094 178.3
[M+CH3COO]- 316.13659 199.7
[M+Na-2H]- 278.09741 159.5
[M]+ 257.12219 157.1
[M]- 257.12329 157.1
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.