CID 117858481

2-chloro-4-(2-fluoropropan-2-yl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

173.04076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 131.6
[M+Na]+ 196.02998 141.6
[M-H]- 172.03348 132.8
[M+NH4]+ 191.07458 151.8
[M+K]+ 212.00392 137.9
[M+H-H2O]+ 156.03802 125.7
[M+HCOO]- 218.03896 147.9
[M+CH3COO]- 232.05461 179.1
[M+Na-2H]- 194.01543 139.3
[M]+ 173.04021 132.3
[M]- 173.04131 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