CID 167723658

3-(2-chloro-3-fluoropyridin-4-yl)propanoic acid

Structural Information

Molecular Formula
C8H7ClFNO2
SMILES
C1=CN=C(C(=C1CCC(=O)O)F)Cl
InChI
InChI=1S/C8H7ClFNO2/c9-8-7(10)5(3-4-11-8)1-2-6(12)13/h3-4H,1-2H2,(H,12,13)
InChIKey
KZJHUJMRIFCBRX-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-fluoropyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02222 135.8
[M+Na]+ 226.00416 145.9
[M-H]- 202.00766 135.8
[M+NH4]+ 221.04876 154.1
[M+K]+ 241.97810 141.7
[M+H-H2O]+ 186.01220 129.8
[M+HCOO]- 248.01314 152.0
[M+CH3COO]- 262.02879 181.1
[M+Na-2H]- 223.98961 140.6
[M]+ 203.01439 137.1
[M]- 203.01549 137.1
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.