CID 820423

3-acetyl-5-bromopyridine

Structural Information

Molecular Formula
C7H6BrNO
SMILES
CC(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
InChIKey
LDBPZEQZCOUYFT-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

637
Patents

198.96329 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 130.8
[M+Na]+ 221.95251 135.0
[M+NH4]+ 216.99711 135.8
[M+K]+ 237.92645 135.2
[M-H]- 197.95601 131.0
[M+Na-2H]- 219.93796 135.2
[M]+ 198.96274 130.3
[M]- 198.96384 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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