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

3
Patents

165.06013 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 132.8
[M+Na]+ 188.04935 139.3
[M-H]- 164.05285 130.0
[M+NH4]+ 183.09395 152.7
[M+K]+ 204.02329 138.9
[M+H-H2O]+ 148.05739 126.1
[M+HCOO]- 210.05833 152.8
[M+CH3COO]- 224.07398 180.1
[M+Na-2H]- 186.03480 134.0
[M]+ 165.05958 129.2
[M]- 165.06068 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