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 134.5
[M+Na]+ 241.95872 147.7
[M-H]- 217.96222 138.8
[M+NH4]+ 237.00332 155.8
[M+K]+ 257.93266 137.2
[M+H-H2O]+ 201.96676 133.7
[M+HCOO]- 263.96770 155.2
[M+CH3COO]- 277.98335 185.3
[M+Na-2H]- 239.94417 142.9
[M]+ 218.96895 153.8
[M]- 218.97005 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