CID 389165

Nsc684849

Structural Information

Molecular Formula
C9H14F3N3O4
SMILES
CCOC(=O)C(C(F)(F)F)(NNC(=O)NCC=C)O
InChI
InChI=1S/C9H14F3N3O4/c1-3-5-13-7(17)14-15-8(18,9(10,11)12)6(16)19-4-2/h3,15,18H,1,4-5H2,2H3,(H2,13,14,17)
InChIKey
WFAOEPWYUSQZEH-UHFFFAOYSA-N
Compound name
ethyl 3,3,3-trifluoro-2-hydroxy-2-[2-(prop-2-enylcarbamoyl)hydrazinyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.09363 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10091 157.4
[M+Na]+ 308.08285 161.6
[M-H]- 284.08635 152.1
[M+NH4]+ 303.12745 171.2
[M+K]+ 324.05679 160.7
[M+H-H2O]+ 268.09089 149.2
[M+HCOO]- 330.09183 175.1
[M+CH3COO]- 344.10748 202.3
[M+Na-2H]- 306.06830 161.1
[M]+ 285.09308 152.5
[M]- 285.09418 152.5
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.