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]+ 235.087736 152.8
[M+Na]+ 257.069678 161.0
[M-H]- 233.073184 154.4
[M+NH4]+ 252.114283 168.2
[M+K]+ 273.043618 157.9
[M+H-H2O]+ 217.077720 138.8
[M+HCOO]- 279.078661 171.6
[M+CH3COO]- 293.094311 204.0
[M+Na-2H]- 255.055126 155.4
[M]+ 234.07991142 147.0
[M]- 234.08100858 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.