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-fluoropyridin-4-yl)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]+ 190.00656 131.1
[M+Na]+ 211.98850 141.6
[M-H]- 187.99200 131.3
[M+NH4]+ 207.03310 149.9
[M+K]+ 227.96244 137.7
[M+H-H2O]+ 171.99654 125.3
[M+HCOO]- 233.99748 147.6
[M+CH3COO]- 248.01313 178.1
[M+Na-2H]- 209.97395 136.4
[M]+ 188.99873 132.1
[M]- 188.99983 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.