CID 70701173

3-bromo-4-ethyl-5-fluoropyridine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CCC1=C(C=NC=C1F)Br
InChI
InChI=1S/C7H7BrFN/c1-2-5-6(8)3-10-4-7(5)9/h3-4H,2H2,1H3
InChIKey
PJVGIIITJQCCRC-UHFFFAOYSA-N
Compound name
3-bromo-4-ethyl-5-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

202.9746 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 135.9
[M+Na]+ 225.96382 140.2
[M+NH4]+ 221.00842 140.9
[M+K]+ 241.93776 139.2
[M-H]- 201.96732 135.6
[M+Na-2H]- 223.94927 139.9
[M]+ 202.97405 135.3
[M]- 202.97515 135.3
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