CID 46736889

1131335-66-4

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=C(C=NC2=C1OC(=C2)CO)Br
InChI
InChI=1S/C8H6BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-3,11H,4H2
InChIKey
ZRGSQDAFELBQJZ-UHFFFAOYSA-N
Compound name
(6-bromofuro[3,2-b]pyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95819 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 137.9
[M+Na]+ 249.94741 152.4
[M-H]- 225.95091 144.2
[M+NH4]+ 244.99201 159.8
[M+K]+ 265.92135 142.5
[M+H-H2O]+ 209.95545 138.6
[M+HCOO]- 271.95639 159.2
[M+CH3COO]- 285.97204 154.3
[M+Na-2H]- 247.93286 147.8
[M]+ 226.95764 159.8
[M]- 226.95874 159.8
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.