CID 8811391

Ethyl 2-cyano-3-[(2,3,4-trifluorophenyl)amino]prop-2-enoate

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CCOC(=O)/C(=C/NC1=C(C(=C(C=C1)F)F)F)/C#N
InChI
InChI=1S/C12H9F3N2O2/c1-2-19-12(18)7(5-16)6-17-9-4-3-8(13)10(14)11(9)15/h3-4,6,17H,2H2,1H3/b7-6+
InChIKey
JISHJNKMEZITCN-VOTSOKGWSA-N
Compound name
ethyl (E)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0616 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.068876 153.4
[M+Na]+ 293.050818 163.0
[M-H]- 269.054324 153.0
[M+NH4]+ 288.095423 167.8
[M+K]+ 309.024758 159.6
[M+H-H2O]+ 253.058860 138.2
[M+HCOO]- 315.059801 170.3
[M+CH3COO]- 329.075451 211.1
[M+Na-2H]- 291.036266 153.9
[M]+ 270.06105142 146.1
[M]- 270.06214858 146.1
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.