CID 11240978

4-chloro-5,6-difluoropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H2ClF2NO2
SMILES
C1=C(C(=C(C(=N1)F)F)Cl)C(=O)O
InChI
InChI=1S/C6H2ClF2NO2/c7-3-2(6(11)12)1-10-5(9)4(3)8/h1H,(H,11,12)
InChIKey
SQMYITSFQKNMHA-UHFFFAOYSA-N
Compound name
4-chloro-5,6-difluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

192.97421 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.981486 127.9
[M+Na]+ 215.963428 139.8
[M-H]- 191.966934 127.3
[M+NH4]+ 211.008033 146.9
[M+K]+ 231.937368 135.8
[M+H-H2O]+ 175.971470 121.7
[M+HCOO]- 237.972411 143.7
[M+CH3COO]- 251.988061 179.1
[M+Na-2H]- 213.948876 132.6
[M]+ 192.97366142 127.8
[M]- 192.97475858 127.8
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