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]+ 256.11437 156.4
[M+Na]+ 278.09631 162.3
[M-H]- 254.09981 156.8
[M+NH4]+ 273.14091 172.8
[M+K]+ 294.07025 159.2
[M+H-H2O]+ 238.10435 147.7
[M+HCOO]- 300.10529 177.3
[M+CH3COO]- 314.12094 198.1
[M+Na-2H]- 276.08176 158.3
[M]+ 255.10654 155.1
[M]- 255.10764 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.