CID 5988723

4093-13-4

Structural Information

Molecular Formula
C13H15F2NO2
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)N(CCF)CCF
InChI
InChI=1S/C13H15F2NO2/c14-7-9-16(10-8-15)12-4-1-11(2-5-12)3-6-13(17)18/h1-6H,7-10H2,(H,17,18)/b6-3+
InChIKey
LPQKXKSZIYNKSF-ZZXKWVIFSA-N
Compound name
(E)-3-[4-[bis(2-fluoroethyl)amino]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10709 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.114366 156.4
[M+Na]+ 278.096308 162.3
[M-H]- 254.099814 156.8
[M+NH4]+ 273.140913 172.8
[M+K]+ 294.070248 159.2
[M+H-H2O]+ 238.104350 147.7
[M+HCOO]- 300.105291 177.3
[M+CH3COO]- 314.120941 198.1
[M+Na-2H]- 276.081756 158.3
[M]+ 255.10654142 155.1
[M]- 255.10763858 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.