CID 11107128

6-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine

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

83
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 141.1
[M+Na]+ 250.96781 151.8
[M-H]- 226.97131 149.2
[M+NH4]+ 246.01241 161.3
[M+K]+ 266.94175 144.1
[M+H-H2O]+ 210.97585 141.6
[M+HCOO]- 272.97679 159.0
[M+CH3COO]- 286.99244 156.4
[M+Na-2H]- 248.95326 152.0
[M]+ 227.97804 160.0
[M]- 227.97914 160.0
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