CID 118613

2-bromo-6-(1,3-dioxolan-2-yl)pyridine

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
C1COC(O1)C2=NC(=CC=C2)Br
InChI
InChI=1S/C8H8BrNO2/c9-7-3-1-2-6(10-7)8-11-4-5-12-8/h1-3,8H,4-5H2
InChIKey
SYSRNUAOBOQPPX-UHFFFAOYSA-N
Compound name
2-bromo-6-(1,3-dioxolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

228.97385 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 143.1
[M+Na]+ 251.96307 146.7
[M+NH4]+ 247.00767 148.2
[M+K]+ 267.93701 148.7
[M-H]- 227.96657 146.7
[M+Na-2H]- 249.94852 146.3
[M]+ 228.97330 143.5
[M]- 228.97440 143.5
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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