CID 155822141

2551120-54-6

Structural Information

Molecular Formula
C8H8FNO3
SMILES
COC(C1=C(C=CC=N1)F)C(=O)O
InChI
InChI=1S/C8H8FNO3/c1-13-7(8(11)12)6-5(9)3-2-4-10-6/h2-4,7H,1H3,(H,11,12)
InChIKey
IDQHYDBXOGOYIU-UHFFFAOYSA-N
Compound name
2-(3-fluoropyridin-2-yl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.04883 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 134.7
[M+Na]+ 208.03805 142.8
[M-H]- 184.04155 134.7
[M+NH4]+ 203.08265 152.4
[M+K]+ 224.01199 141.6
[M+H-H2O]+ 168.04609 127.6
[M+HCOO]- 230.04703 154.7
[M+CH3COO]- 244.06268 179.1
[M+Na-2H]- 206.02350 139.3
[M]+ 185.04828 134.5
[M]- 185.04938 134.5
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.