CID 72213556

1260669-99-5

Structural Information

Molecular Formula
C8H6BrNO3
SMILES
C1OC2=C(O1)N=CC(=C2)C(=O)CBr
InChI
InChI=1S/C8H6BrNO3/c9-2-6(11)5-1-7-8(10-3-5)13-4-12-7/h1,3H,2,4H2
InChIKey
GWHBJOITQQLVAF-UHFFFAOYSA-N
Compound name
2-bromo-1-([1,3]dioxolo[4,5-b]pyridin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.95311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96039 143.6
[M+Na]+ 265.94233 155.7
[M-H]- 241.94583 150.8
[M+NH4]+ 260.98693 163.6
[M+K]+ 281.91627 148.2
[M+H-H2O]+ 225.95037 144.0
[M+HCOO]- 287.95131 162.1
[M+CH3COO]- 301.96696 186.4
[M+Na-2H]- 263.92778 152.2
[M]+ 242.95256 164.8
[M]- 242.95366 164.8
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

No patent data available for this compound.