CID 129299434

2-chloro-6-(2-fluoropropan-2-yl)pyridine

Structural Information

Molecular Formula
C8H9ClFN
SMILES
CC(C)(C1=NC(=CC=C1)Cl)F
InChI
InChI=1S/C8H9ClFN/c1-8(2,10)6-4-3-5-7(9)11-6/h3-5H,1-2H3
InChIKey
WKAACAMMTBEPHL-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-fluoropropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.04076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.048036 131.6
[M+Na]+ 196.029978 141.6
[M-H]- 172.033484 132.8
[M+NH4]+ 191.074583 151.8
[M+K]+ 212.003918 137.9
[M+H-H2O]+ 156.038020 125.7
[M+HCOO]- 218.038961 147.9
[M+CH3COO]- 232.054611 179.1
[M+Na-2H]- 194.015426 139.3
[M]+ 173.04021142 132.3
[M]- 173.04130858 132.3
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