CID 53403688

2-(5-bromopyridin-2-yl)ethanol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=NC=C1Br)CCO
InChI
InChI=1S/C7H8BrNO/c8-6-1-2-7(3-4-10)9-5-6/h1-2,5,10H,3-4H2
InChIKey
RXFPLSUXRPOSOF-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

200.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 134.4
[M+Na]+ 223.96815 138.3
[M+NH4]+ 219.01275 139.3
[M+K]+ 239.94209 137.9
[M-H]- 199.97165 134.5
[M+Na-2H]- 221.95360 138.4
[M]+ 200.97838 133.7
[M]- 200.97948 133.7
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