CID 233966

280752-78-5

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

103
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 144.6
[M+Na]+ 266.96273 155.5
[M-H]- 242.96623 151.6
[M+NH4]+ 262.00733 163.6
[M+K]+ 282.93667 147.3
[M+H-H2O]+ 226.97077 145.0
[M+HCOO]- 288.97171 161.1
[M+CH3COO]- 302.98736 185.8
[M+Na-2H]- 264.94818 154.3
[M]+ 243.97296 163.4
[M]- 243.97406 163.4
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