CID 5325865

5-bromo-3,4-dihydro-2h-pyran

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1CC(=COC1)Br
InChI
InChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h4H,1-3H2
InChIKey
BOKLDMFBZUFZGT-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

161.96803 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 124.7
[M+Na]+ 184.95725 135.0
[M-H]- 160.96075 131.3
[M+NH4]+ 180.00185 147.5
[M+K]+ 200.93119 127.0
[M+H-H2O]+ 144.96529 125.7
[M+HCOO]- 206.96623 144.6
[M+CH3COO]- 220.98188 173.2
[M+Na-2H]- 182.94270 134.9
[M]+ 161.96748 141.1
[M]- 161.96858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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