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 141.3
[M+Na]+ 229.03837 150.9
[M-H]- 205.04187 141.8
[M+NH4]+ 224.08297 156.9
[M+K]+ 245.01231 148.3
[M+H-H2O]+ 189.04641 127.1
[M+HCOO]- 251.04735 158.6
[M+CH3COO]- 265.06300 196.5
[M+Na-2H]- 227.02382 145.0
[M]+ 206.04860 136.1
[M]- 206.04970 136.1
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.