CID 135444933

2-((4-fluoro-phenyl)-hydrazono)-3-oxo-butyric acid ethyl ester

Structural Information

Molecular Formula
C12H13FN2O3
SMILES
CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)F
InChI
InChI=1S/C12H13FN2O3/c1-3-18-12(17)11(8(2)16)15-14-10-6-4-9(13)5-7-10/h4-7,16H,3H2,1-2H3
InChIKey
AHDAIEQPUJLDNK-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.09102 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09830 155.0
[M+Na]+ 275.08024 160.9
[M-H]- 251.08374 158.6
[M+NH4]+ 270.12484 171.9
[M+K]+ 291.05418 160.0
[M+H-H2O]+ 235.08828 146.8
[M+HCOO]- 297.08922 179.3
[M+CH3COO]- 311.10487 200.8
[M+Na-2H]- 273.06569 157.7
[M]+ 252.09047 155.6
[M]- 252.09157 155.6
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