CID 97627690

Ethyl 3-amino-4,4-difluorobut-2-enoate

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
CCOC(=O)/C=C(/C(F)F)\N
InChI
InChI=1S/C6H9F2NO2/c1-2-11-5(10)3-4(9)6(7)8/h3,6H,2,9H2,1H3/b4-3-
InChIKey
UVDSFXKVWRRSQT-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-amino-4,4-difluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

165.06013 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.067406 132.8
[M+Na]+ 188.049348 139.3
[M-H]- 164.052854 130.0
[M+NH4]+ 183.093953 152.7
[M+K]+ 204.023288 138.9
[M+H-H2O]+ 148.057390 126.1
[M+HCOO]- 210.058331 152.8
[M+CH3COO]- 224.073981 180.1
[M+Na-2H]- 186.034796 134.0
[M]+ 165.05958142 129.2
[M]- 165.06067858 129.2
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

patents stripe