CID 2733666

2,6-dichloro-5-fluoro-3-pyridinecarbonyl chloride

Structural Information

Molecular Formula
C6HCl3FNO
SMILES
C1=C(C(=NC(=C1F)Cl)Cl)C(=O)Cl
InChI
InChI=1S/C6HCl3FNO/c7-4-2(6(9)12)1-3(10)5(8)11-4/h1H
InChIKey
AATVXELAYCLVTJ-UHFFFAOYSA-N
Compound name
2,6-dichloro-5-fluoropyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

226.91078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.91806 132.8
[M+Na]+ 249.90000 145.0
[M-H]- 225.90350 132.9
[M+NH4]+ 244.94460 151.3
[M+K]+ 265.87394 139.6
[M+H-H2O]+ 209.90804 128.5
[M+HCOO]- 271.90898 140.2
[M+CH3COO]- 285.92463 187.2
[M+Na-2H]- 247.88545 136.7
[M]+ 226.91023 135.1
[M]- 226.91133 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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