CID 165980335

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

Structural Information

Molecular Formula
C10H9BrF3N
SMILES
C1CC(C1)(C2=NC(=CC=C2)Br)C(F)(F)F
InChI
InChI=1S/C10H9BrF3N/c11-8-4-1-3-7(15-8)9(5-2-6-9)10(12,13)14/h1,3-4H,2,5-6H2
InChIKey
HATJCWMOERXPSM-UHFFFAOYSA-N
Compound name
2-bromo-6-[1-(trifluoromethyl)cyclobutyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.98706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.994336 147.3
[M+Na]+ 301.976278 158.6
[M-H]- 277.979784 151.8
[M+NH4]+ 297.020883 161.9
[M+K]+ 317.950218 149.9
[M+H-H2O]+ 261.984320 141.3
[M+HCOO]- 323.985261 162.2
[M+CH3COO]- 338.000911 196.4
[M+Na-2H]- 299.961726 154.9
[M]+ 278.98651142 168.7
[M]- 278.98760858 168.7
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.