CID 44196681

N-(1-(5-bromo-3-fluoropyridin-2-yl)vinyl)acetamide

Structural Information

Molecular Formula
C9H8BrFN2O
SMILES
CC(=O)NC(=C)C1=C(C=C(C=N1)Br)F
InChI
InChI=1S/C9H8BrFN2O/c1-5(13-6(2)14)9-8(11)3-7(10)4-12-9/h3-4H,1H2,2H3,(H,13,14)
InChIKey
QBLXJZARYMBSNE-UHFFFAOYSA-N
Compound name
N-[1-(5-bromo-3-fluoropyridin-2-yl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

257.9804 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98768 147.8
[M+Na]+ 280.96962 149.6
[M+NH4]+ 276.01422 150.8
[M+K]+ 296.94356 150.4
[M-H]- 256.97312 146.3
[M+Na-2H]- 278.95507 149.8
[M]+ 257.97985 146.1
[M]- 257.98095 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe