CID 57475450

4-(bromomethyl)-3-fluoropyridine hydrobromide

Structural Information

Molecular Formula
C6H5BrFN
SMILES
C1=CN=CC(=C1CBr)F
InChI
InChI=1S/C6H5BrFN/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2
InChIKey
KTARAIMDJZXDFM-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

188.95894 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96622 127.4
[M+Na]+ 211.94816 140.3
[M-H]- 187.95166 131.6
[M+NH4]+ 206.99276 149.7
[M+K]+ 227.92210 129.7
[M+H-H2O]+ 171.95620 127.0
[M+HCOO]- 233.95714 148.3
[M+CH3COO]- 247.97279 179.6
[M+Na-2H]- 209.93361 137.1
[M]+ 188.95839 144.8
[M]- 188.95949 144.8
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