CID 46318078

3-bromo-2-fluoro-6-(pyrrolidin-1-yl)pyridine

Structural Information

Molecular Formula
C9H10BrFN2
SMILES
C1CCN(C1)C2=NC(=C(C=C2)Br)F
InChI
InChI=1S/C9H10BrFN2/c10-7-3-4-8(12-9(7)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKey
LMZXGFVWFGHXJZ-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.00114 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00842 145.8
[M+Na]+ 266.99036 157.7
[M-H]- 242.99386 151.4
[M+NH4]+ 262.03496 166.3
[M+K]+ 282.96430 146.6
[M+H-H2O]+ 226.99840 144.1
[M+HCOO]- 288.99934 164.1
[M+CH3COO]- 303.01499 160.2
[M+Na-2H]- 264.97581 150.9
[M]+ 244.00059 160.8
[M]- 244.00169 160.8
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