CID 211889

23723-22-0

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]+ 182.061186 134.5
[M+Na]+ 204.043128 143.3
[M-H]- 180.046634 135.7
[M+NH4]+ 199.087733 153.2
[M+K]+ 220.017068 141.1
[M+H-H2O]+ 164.051170 127.1
[M+HCOO]- 226.052111 156.6
[M+CH3COO]- 240.067761 180.2
[M+Na-2H]- 202.028576 140.3
[M]+ 181.05336142 135.0
[M]- 181.05445858 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.