CID 28043410

Ethyl 2-cyano-3-[(2-fluorophenyl)amino]prop-2-enoate

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CCOC(=O)/C(=C/NC1=CC=CC=C1F)/C#N
InChI
InChI=1S/C12H11FN2O2/c1-2-17-12(16)9(7-14)8-15-11-6-4-3-5-10(11)13/h3-6,8,15H,2H2,1H3/b9-8+
InChIKey
GUXJSHDCEAORRS-CMDGGOBGSA-N
Compound name
ethyl (E)-2-cyano-3-(2-fluoroanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08046 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 152.8
[M+Na]+ 257.06968 161.0
[M-H]- 233.07318 154.4
[M+NH4]+ 252.11428 168.2
[M+K]+ 273.04362 157.9
[M+H-H2O]+ 217.07772 138.8
[M+HCOO]- 279.07866 171.6
[M+CH3COO]- 293.09431 204.0
[M+Na-2H]- 255.05513 155.4
[M]+ 234.07991 147.0
[M]- 234.08101 147.0
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.