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]+ 198.073636 138.9
[M+Na]+ 220.055578 145.5
[M-H]- 196.059084 134.9
[M+NH4]+ 215.100183 157.6
[M+K]+ 236.029518 144.9
[M+H-H2O]+ 180.063620 131.8
[M+HCOO]- 242.064561 156.0
[M+CH3COO]- 256.080211 185.6
[M+Na-2H]- 218.041026 139.8
[M]+ 197.06581142 133.7
[M]- 197.06690858 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.