CID 178243145

Ethyl (2e)-3-amino-2-(trifluoromethyl)but-2-enoate

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
CCOC(=O)/C(=C(/C)\N)/C(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c1-3-13-6(12)5(4(2)11)7(8,9)10/h3,11H2,1-2H3/b5-4+
InChIKey
LHFJBGSSFFJXCW-SNAWJCMRSA-N
Compound name
ethyl (E)-3-amino-2-(trifluoromethyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 138.9
[M+Na]+ 220.05558 145.5
[M-H]- 196.05908 134.9
[M+NH4]+ 215.10018 157.6
[M+K]+ 236.02952 144.9
[M+H-H2O]+ 180.06362 131.8
[M+HCOO]- 242.06456 156.0
[M+CH3COO]- 256.08021 185.6
[M+Na-2H]- 218.04103 139.8
[M]+ 197.06581 133.7
[M]- 197.06691 133.7
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.