CID 53403537

2-(2-fluoropyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1=CC(=C(N=C1)F)CC(=O)O
InChI
InChI=1S/C7H6FNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKey
VZQKMRLLUXPSME-UHFFFAOYSA-N
Compound name
2-(2-fluoro-3-pyridinyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 127.1
[M+Na]+ 178.027468 135.9
[M-H]- 154.030974 127.1
[M+NH4]+ 173.072073 146.1
[M+K]+ 194.001408 133.9
[M+H-H2O]+ 138.035510 120.3
[M+HCOO]- 200.036451 148.1
[M+CH3COO]- 214.052101 173.1
[M+Na-2H]- 176.012916 133.5
[M]+ 155.03770142 125.7
[M]- 155.03879858 125.7
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