CID 23437052

1-(4-bromopyridin-2-yl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

198.96329 Da
Monoisotopic Mass

1.6
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe