CID 83486179

1379361-49-5

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1CNC(=O)C2=C1OC(=C2)Br
InChI
InChI=1S/C7H6BrNO2/c8-6-3-4-5(11-6)1-2-9-7(4)10/h3H,1-2H2,(H,9,10)
InChIKey
ZHDCPLRPOVIAHF-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.95819 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.965466 137.6
[M+Na]+ 237.947408 149.9
[M-H]- 213.950914 143.0
[M+NH4]+ 232.992013 159.5
[M+K]+ 253.921348 140.1
[M+H-H2O]+ 197.955450 138.4
[M+HCOO]- 259.956391 155.2
[M+CH3COO]- 273.972041 152.8
[M+Na-2H]- 235.932856 145.2
[M]+ 214.95764142 154.4
[M]- 214.95873858 154.4
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