CID 67125462

4-bromo-2-ethoxy-5-fluoropyridine

Structural Information

Molecular Formula
C7H7BrFNO
SMILES
CCOC1=NC=C(C(=C1)Br)F
InChI
InChI=1S/C7H7BrFNO/c1-2-11-7-3-5(8)6(9)4-10-7/h3-4H,2H2,1H3
InChIKey
BEVZLWQGRVQEOB-UHFFFAOYSA-N
Compound name
4-bromo-2-ethoxy-5-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.9695 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.976776 134.5
[M+Na]+ 241.958718 147.7
[M-H]- 217.962224 138.8
[M+NH4]+ 237.003323 155.8
[M+K]+ 257.932658 137.2
[M+H-H2O]+ 201.966760 133.7
[M+HCOO]- 263.967701 155.2
[M+CH3COO]- 277.983351 185.3
[M+Na-2H]- 239.944166 142.9
[M]+ 218.96895142 153.8
[M]- 218.97004858 153.8
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