CID 211889

Allyl 5-fluoronicotinate

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C=CCOC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C9H8FNO2/c1-2-3-13-9(12)7-4-8(10)6-11-5-7/h2,4-6H,1,3H2
InChIKey
NPXGQTITDQSREJ-UHFFFAOYSA-N
Compound name
prop-2-enyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05391 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 134.5
[M+Na]+ 204.04313 143.3
[M-H]- 180.04663 135.7
[M+NH4]+ 199.08773 153.2
[M+K]+ 220.01707 141.1
[M+H-H2O]+ 164.05117 127.1
[M+HCOO]- 226.05211 156.6
[M+CH3COO]- 240.06776 180.2
[M+Na-2H]- 202.02858 140.3
[M]+ 181.05336 135.0
[M]- 181.05446 135.0
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.