CID 5706478

2-fluoro-3-(pyridin-3-yl)prop-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1=CC(=CN=C1)/C=C(/C(=O)O)\F
InChI
InChI=1S/C8H6FNO2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-5H,(H,11,12)/b7-4-
InChIKey
JCFUUOVZEHIBNV-DAXSKMNVSA-N
Compound name
(Z)-2-fluoro-3-pyridin-3-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

167.03825 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04553 133.6
[M+Na]+ 190.02747 144.4
[M+NH4]+ 185.07207 140.0
[M+K]+ 206.00141 139.7
[M-H]- 166.03097 132.1
[M+Na-2H]- 188.01292 138.8
[M]+ 167.03770 134.3
[M]- 167.03880 134.3
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