CID 4580582

3-(methacrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one

Structural Information

Molecular Formula
C9H10F3N3O2
SMILES
CC(=C)C(=O)NC1=NN(C(=O)C1)CC(F)(F)F
InChI
InChI=1S/C9H10F3N3O2/c1-5(2)8(17)13-6-3-7(16)15(14-6)4-9(10,11)12/h1,3-4H2,2H3,(H,13,14,17)
InChIKey
GCCGCXWGQXBAJI-UHFFFAOYSA-N
Compound name
2-methyl-N-[5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.07251 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07979 150.4
[M+Na]+ 272.06173 158.6
[M-H]- 248.06523 147.8
[M+NH4]+ 267.10633 166.6
[M+K]+ 288.03567 156.2
[M+H-H2O]+ 232.06977 141.3
[M+HCOO]- 294.07071 166.9
[M+CH3COO]- 308.08636 193.9
[M+Na-2H]- 270.04718 151.1
[M]+ 249.07196 145.8
[M]- 249.07306 145.8
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