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 145.8
[M+Na]+ 280.96962 157.3
[M-H]- 256.97312 149.8
[M+NH4]+ 276.01422 164.9
[M+K]+ 296.94356 145.5
[M+H-H2O]+ 240.97766 143.9
[M+HCOO]- 302.97860 165.2
[M+CH3COO]- 316.99425 194.8
[M+Na-2H]- 278.95507 150.9
[M]+ 257.97985 162.4
[M]- 257.98095 162.4
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