CID 2758868

121303-76-2

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
CCOC(=O)C=C(C(F)(F)F)NC
InChI
InChI=1S/C7H10F3NO2/c1-3-13-6(12)4-5(11-2)7(8,9)10/h4,11H,3H2,1-2H3
InChIKey
NDCZMOSQVJGZCK-UHFFFAOYSA-N
Compound name
ethyl 4,4,4-trifluoro-3-(methylamino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

197.06636 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.073636 138.6
[M+Na]+ 220.055578 145.5
[M-H]- 196.059084 135.0
[M+NH4]+ 215.100183 157.6
[M+K]+ 236.029518 144.7
[M+H-H2O]+ 180.063620 131.4
[M+HCOO]- 242.064561 157.3
[M+CH3COO]- 256.080211 185.3
[M+Na-2H]- 218.041026 141.9
[M]+ 197.06581142 135.2
[M]- 197.06690858 135.2
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