CID 5709904

3-(5-fluoropyridin-3-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1=C(C=NC=C1F)/C=C/C(=O)O
InChI
InChI=1S/C8H6FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+
InChIKey
ZPEUSCORKLJHLE-OWOJBTEDSA-N
Compound name
(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.03825 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 130.6
[M+Na]+ 190.027468 139.4
[M-H]- 166.030974 130.6
[M+NH4]+ 185.072073 149.2
[M+K]+ 206.001408 136.6
[M+H-H2O]+ 150.035510 123.7
[M+HCOO]- 212.036451 151.6
[M+CH3COO]- 226.052101 174.5
[M+Na-2H]- 188.012916 136.5
[M]+ 167.03770142 128.8
[M]- 167.03879858 128.8
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

patents stripe