CID 71743889

4-bromo-2-(1-(trifluoromethyl)cyclopropyl)pyridine

Structural Information

Molecular Formula
C9H7BrF3N
SMILES
C1CC1(C2=NC=CC(=C2)Br)C(F)(F)F
InChI
InChI=1S/C9H7BrF3N/c10-6-1-4-14-7(5-6)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2
InChIKey
AJYRTYGOUARIGD-UHFFFAOYSA-N
Compound name
4-bromo-2-[1-(trifluoromethyl)cyclopropyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

264.9714 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97868 147.9
[M+Na]+ 287.96062 162.2
[M-H]- 263.96412 153.5
[M+NH4]+ 283.00522 164.4
[M+K]+ 303.93456 150.8
[M+H-H2O]+ 247.96866 145.7
[M+HCOO]- 309.96960 164.8
[M+CH3COO]- 323.98525 193.9
[M+Na-2H]- 285.94607 156.2
[M]+ 264.97085 164.2
[M]- 264.97195 164.2
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