CID 22595336

Schembl5496490

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1C=CC(CO1)Br
InChI
InChI=1S/C5H7BrO/c6-5-2-1-3-7-4-5/h1-2,5H,3-4H2
InChIKey
ZMBSGZJODLPCCQ-UHFFFAOYSA-N
Compound name
3-bromo-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 123.5
[M+Na]+ 184.95725 126.9
[M+NH4]+ 180.00185 129.7
[M+K]+ 200.93119 127.1
[M-H]- 160.96075 125.7
[M+Na-2H]- 182.94270 127.4
[M]+ 161.96748 123.5
[M]- 161.96858 123.5
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