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

77
Patents

241.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 145.9
[M+Na]+ 264.983468 156.2
[M-H]- 240.986974 153.8
[M+NH4]+ 260.028073 165.6
[M+K]+ 280.957408 148.3
[M+H-H2O]+ 224.991510 146.2
[M+HCOO]- 286.992451 163.4
[M+CH3COO]- 301.008101 187.9
[M+Na-2H]- 262.968916 156.2
[M]+ 241.99370142 165.1
[M]- 241.99479858 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