CID 88453189

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

Structural Information

Molecular Formula
C6H8ClF2NO2
SMILES
CCOC(=O)/C=C(/C(F)(F)Cl)\N
InChI
InChI=1S/C6H8ClF2NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-
InChIKey
WYSNKGPBXWKIQK-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-amino-4-chloro-4,4-difluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.02116 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02844 136.5
[M+Na]+ 222.01038 144.4
[M-H]- 198.01388 133.9
[M+NH4]+ 217.05498 156.0
[M+K]+ 237.98432 141.7
[M+H-H2O]+ 182.01842 131.4
[M+HCOO]- 244.01936 151.6
[M+CH3COO]- 258.03501 183.3
[M+Na-2H]- 219.99583 139.4
[M]+ 199.02061 134.9
[M]- 199.02171 134.9
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