CID 122198155

5-bromo-2,2-dimethyl-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1(COC2=C(O1)C=CC=C2Br)C
InChI
InChI=1S/C10H11BrO2/c1-10(2)6-12-9-7(11)4-3-5-8(9)13-10/h3-5H,6H2,1-2H3
InChIKey
HYEGONXZTKJBBF-UHFFFAOYSA-N
Compound name
5-bromo-2,2-dimethyl-3H-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 143.7
[M+Na]+ 264.98347 155.8
[M-H]- 240.98697 152.3
[M+NH4]+ 260.02807 165.6
[M+K]+ 280.95741 148.1
[M+H-H2O]+ 224.99151 144.8
[M+HCOO]- 286.99245 161.2
[M+CH3COO]- 301.00810 188.6
[M+Na-2H]- 262.96892 154.6
[M]+ 241.99370 163.8
[M]- 241.99480 163.8
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

No patent data available for this compound.