CID 28043529

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

Structural Information

Molecular Formula
C12H10F2N2O2
SMILES
CCOC(=O)/C(=C/NC1=C(C=C(C=C1)F)F)/C#N
InChI
InChI=1S/C12H10F2N2O2/c1-2-18-12(17)8(6-15)7-16-11-4-3-9(13)5-10(11)14/h3-5,7,16H,2H2,1H3/b8-7+
InChIKey
CLQDEQXHKAZTBH-BQYQJAHWSA-N
Compound name
ethyl (E)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07103 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07831 153.1
[M+Na]+ 275.06025 162.0
[M-H]- 251.06375 153.7
[M+NH4]+ 270.10485 168.0
[M+K]+ 291.03419 158.7
[M+H-H2O]+ 235.06829 138.5
[M+HCOO]- 297.06923 170.9
[M+CH3COO]- 311.08488 207.6
[M+Na-2H]- 273.04570 154.6
[M]+ 252.07048 146.6
[M]- 252.07158 146.6
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

No patent data available for this compound.