CID 11107128

79440-34-9

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC2=C(O1)C=CC(=C2)CBr
InChI
InChI=1S/C9H9BrO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6H2
InChIKey
DQYOHFCVPNOXQQ-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

227.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 137.6
[M+Na]+ 250.96781 142.2
[M+NH4]+ 246.01241 143.7
[M+K]+ 266.94175 142.0
[M-H]- 226.97131 141.4
[M+Na-2H]- 248.95326 140.8
[M]+ 227.97804 138.3
[M]- 227.97914 138.3
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