CID 165750431

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

Structural Information

Molecular Formula
C10H9BrF3N
SMILES
C1CC(C1)(C2=C(C=CC=N2)Br)C(F)(F)F
InChI
InChI=1S/C10H9BrF3N/c11-7-3-1-6-15-8(7)9(4-2-5-9)10(12,13)14/h1,3,6H,2,4-5H2
InChIKey
SBOPXFISBOOFEG-UHFFFAOYSA-N
Compound name
3-bromo-2-[1-(trifluoromethyl)cyclobutyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.98706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99434 147.3
[M+Na]+ 301.97628 158.6
[M-H]- 277.97978 151.8
[M+NH4]+ 297.02088 161.9
[M+K]+ 317.95022 149.9
[M+H-H2O]+ 261.98432 141.3
[M+HCOO]- 323.98526 162.2
[M+CH3COO]- 338.00091 196.4
[M+Na-2H]- 299.96173 154.9
[M]+ 278.98651 168.7
[M]- 278.98761 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.