CID 44754787

884494-76-2

Structural Information

Molecular Formula
C6H3ClFNO2
SMILES
C1=CC(=NC(=C1F)C(=O)O)Cl
InChI
InChI=1S/C6H3ClFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11)
InChIKey
YGDRQLYJJGEHCC-UHFFFAOYSA-N
Compound name
6-chloro-3-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

174.98363 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.990906 126.3
[M+Na]+ 197.972848 137.3
[M-H]- 173.976354 126.8
[M+NH4]+ 193.017453 145.7
[M+K]+ 213.946788 133.6
[M+H-H2O]+ 157.980890 120.8
[M+HCOO]- 219.981831 143.2
[M+CH3COO]- 233.997481 175.1
[M+Na-2H]- 195.958296 132.2
[M]+ 174.98308142 127.0
[M]- 174.98417858 127.0
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