CID 167731394

4-(2-bromoethyl)-2-chloro-3-fluoropyridine

Structural Information

Molecular Formula
C7H6BrClFN
SMILES
C1=CN=C(C(=C1CCBr)F)Cl
InChI
InChI=1S/C7H6BrClFN/c8-3-1-5-2-4-11-7(9)6(5)10/h2,4H,1,3H2
InChIKey
JUEMZJQXDYCNKO-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-2-chloro-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.93562 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.94290 135.9
[M+Na]+ 259.92484 150.2
[M-H]- 235.92834 140.0
[M+NH4]+ 254.96944 157.4
[M+K]+ 275.89878 137.2
[M+H-H2O]+ 219.93288 136.0
[M+HCOO]- 281.93382 152.0
[M+CH3COO]- 295.94947 187.1
[M+Na-2H]- 257.91029 144.0
[M]+ 236.93507 155.6
[M]- 236.93617 155.6
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.