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

118
Patents

243.97351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 144.6
[M+Na]+ 266.962728 155.5
[M-H]- 242.966234 151.6
[M+NH4]+ 262.007333 163.6
[M+K]+ 282.936668 147.3
[M+H-H2O]+ 226.970770 145.0
[M+HCOO]- 288.971711 161.1
[M+CH3COO]- 302.987361 185.8
[M+Na-2H]- 264.948176 154.3
[M]+ 243.97296142 163.4
[M]- 243.97405858 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