CID 233966

(6-bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

Structural Information

Molecular Formula
C9H9BrO3
SMILES
C1C(OC2=C(O1)C=C(C=C2)Br)CO
InChI
InChI=1S/C9H9BrO3/c10-6-1-2-8-9(3-6)12-5-7(4-11)13-8/h1-3,7,11H,4-5H2
InChIKey
GJEZMJKQOBAYTM-UHFFFAOYSA-N
Compound name
(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

243.97351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 141.5
[M+Na]+ 266.96273 145.5
[M+NH4]+ 262.00733 146.8
[M+K]+ 282.93667 146.1
[M-H]- 242.96623 144.5
[M+Na-2H]- 264.94818 143.6
[M]+ 243.97296 141.8
[M]- 243.97406 141.8
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

patents stripe