CID 45050980

Methyl 2-cyano-3-(3-fluoro-4-pyridinyl)-2-propenoate

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
COC(=O)/C(=C/C1=C(C=NC=C1)F)/C#N
InChI
InChI=1S/C10H7FN2O2/c1-15-10(14)8(5-12)4-7-2-3-13-6-9(7)11/h2-4,6H,1H3/b8-4+
InChIKey
DLMSOYGLBVLYQH-XBXARRHUSA-N
Compound name
methyl (E)-2-cyano-3-(3-fluoropyridin-4-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04915 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05643 145.5
[M+Na]+ 229.03837 156.3
[M+NH4]+ 224.08297 148.2
[M+K]+ 245.01231 147.8
[M-H]- 205.04187 137.0
[M+Na-2H]- 227.02382 147.7
[M]+ 206.04860 143.5
[M]- 206.04970 143.5
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.