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]+ 271.06888 153.4
[M+Na]+ 293.05082 163.0
[M-H]- 269.05432 153.0
[M+NH4]+ 288.09542 167.8
[M+K]+ 309.02476 159.6
[M+H-H2O]+ 253.05886 138.2
[M+HCOO]- 315.05980 170.3
[M+CH3COO]- 329.07545 211.1
[M+Na-2H]- 291.03627 153.9
[M]+ 270.06105 146.1
[M]- 270.06215 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.