CID 71758168

2-(3-chloro-5-fluoropyridin-4-yl)acetic acid

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
C1=C(C(=C(C=N1)Cl)CC(=O)O)F
InChI
InChI=1S/C7H5ClFNO2/c8-5-2-10-3-6(9)4(5)1-7(11)12/h2-3H,1H2,(H,11,12)
InChIKey
FLUPBSHHXAQWEP-UHFFFAOYSA-N
Compound name
2-(3-chloro-5-fluoro-4-pyridinyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99928 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.006556 131.1
[M+Na]+ 211.988498 141.6
[M-H]- 187.992004 131.3
[M+NH4]+ 207.033103 149.9
[M+K]+ 227.962438 137.7
[M+H-H2O]+ 171.996540 125.3
[M+HCOO]- 233.997481 147.6
[M+CH3COO]- 248.013131 178.1
[M+Na-2H]- 209.973946 136.4
[M]+ 188.99873142 132.1
[M]- 188.99982858 132.1
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.