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

86
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 141.5
[M+Na]+ 251.96307 152.7
[M-H]- 227.96657 150.6
[M+NH4]+ 247.00767 161.0
[M+K]+ 267.93701 145.3
[M+H-H2O]+ 211.97111 141.6
[M+HCOO]- 273.97205 160.8
[M+CH3COO]- 287.98770 157.1
[M+Na-2H]- 249.94852 149.7
[M]+ 228.97330 160.1
[M]- 228.97440 160.1
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

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