CID 165980323

2-chloro-6-[1-(trifluoromethyl)cyclobutyl]pyridine

Structural Information

Molecular Formula
C10H9ClF3N
SMILES
C1CC(C1)(C2=NC(=CC=C2)Cl)C(F)(F)F
InChI
InChI=1S/C10H9ClF3N/c11-8-4-1-3-7(15-8)9(5-2-6-9)10(12,13)14/h1,3-4H,2,5-6H2
InChIKey
XJJHSYAFIDQDEQ-UHFFFAOYSA-N
Compound name
2-chloro-6-[1-(trifluoromethyl)cyclobutyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.03757 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04485 141.8
[M+Na]+ 258.02679 151.0
[M-H]- 234.03029 143.4
[M+NH4]+ 253.07139 154.9
[M+K]+ 274.00073 148.8
[M+H-H2O]+ 218.03483 129.4
[M+HCOO]- 280.03577 154.1
[M+CH3COO]- 294.05142 190.7
[M+Na-2H]- 256.01224 148.1
[M]+ 235.03702 147.1
[M]- 235.03812 147.1
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

No patent data available for this compound.