CID 10679449

5-bromofuro[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=COC2=NC=C(C=C21)Br
InChI
InChI=1S/C7H4BrNO/c8-6-3-5-1-2-10-7(5)9-4-6/h1-4H
InChIKey
ILFJFOMSHYIUTA-UHFFFAOYSA-N
Compound name
5-bromofuro[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

196.94763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.954906 129.6
[M+Na]+ 219.936848 144.4
[M-H]- 195.940354 137.1
[M+NH4]+ 214.981453 153.2
[M+K]+ 235.910788 135.3
[M+H-H2O]+ 179.944890 130.5
[M+HCOO]- 241.945831 152.6
[M+CH3COO]- 255.961481 147.1
[M+Na-2H]- 217.922296 141.3
[M]+ 196.94708142 151.3
[M]- 196.94817858 151.3
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