CID 46738829

4-bromo-3,6-dihydro-2h-pyran

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1COCC=C1Br
InChI
InChI=1S/C5H7BrO/c6-5-1-3-7-4-2-5/h1H,2-4H2
InChIKey
WSVCDRYCXKRMRC-UHFFFAOYSA-N
Compound name
4-bromo-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

161.96803 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe