CID 82397541

3-bromo-5,7-dihydrofuro[3,4-b]pyridine

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1C2=C(CO1)N=CC(=C2)Br
InChI
InChI=1S/C7H6BrNO/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2
InChIKey
XOVAGIOSWDHHFA-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dihydrofuro[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

198.96329 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.970566 133.4
[M+Na]+ 221.952508 146.2
[M-H]- 197.956014 140.2
[M+NH4]+ 216.997113 156.7
[M+K]+ 237.926448 137.4
[M+H-H2O]+ 181.960550 134.1
[M+HCOO]- 243.961491 153.6
[M+CH3COO]- 257.977141 149.7
[M+Na-2H]- 219.937956 143.1
[M]+ 198.96274142 152.3
[M]- 198.96383858 152.3
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