CID 19088508

6-(2-bromoethyl)-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C10H11BrO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCBr
InChI
InChI=1S/C10H11BrO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6H2
InChIKey
NGJZILDWYSVWOA-UHFFFAOYSA-N
Compound name
6-(2-bromoethyl)-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

241.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 145.9
[M+Na]+ 264.98347 156.2
[M-H]- 240.98697 153.8
[M+NH4]+ 260.02807 165.6
[M+K]+ 280.95741 148.3
[M+H-H2O]+ 224.99151 146.2
[M+HCOO]- 286.99245 163.4
[M+CH3COO]- 301.00810 187.9
[M+Na-2H]- 262.96892 156.2
[M]+ 241.99370 165.1
[M]- 241.99480 165.1
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