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

39
Patents

192.97421 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.98149 127.9
[M+Na]+ 215.96343 139.8
[M-H]- 191.96693 127.3
[M+NH4]+ 211.00803 146.9
[M+K]+ 231.93737 135.8
[M+H-H2O]+ 175.97147 121.7
[M+HCOO]- 237.97241 143.7
[M+CH3COO]- 251.98806 179.1
[M+Na-2H]- 213.94888 132.6
[M]+ 192.97366 127.8
[M]- 192.97476 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