CID 74889581

5-bromo-3-ethoxy-2-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

218.9695 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97678 139.4
[M+Na]+ 241.95872 143.2
[M+NH4]+ 237.00332 143.9
[M+K]+ 257.93266 142.7
[M-H]- 217.96222 138.6
[M+Na-2H]- 239.94417 142.9
[M]+ 218.96895 138.5
[M]- 218.97005 138.5
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