CID 121210334

8-bromo-2,3-dihydro-1,4-benzodioxin-6-ol

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1COC2=C(O1)C=C(C=C2Br)O
InChI
InChI=1S/C8H7BrO3/c9-6-3-5(10)4-7-8(6)12-2-1-11-7/h3-4,10H,1-2H2
InChIKey
TVBZOMGVHJGQPD-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1,4-benzodioxin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.95786 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 139.8
[M+Na]+ 252.94708 151.1
[M-H]- 228.95058 147.0
[M+NH4]+ 247.99168 159.4
[M+K]+ 268.92102 143.2
[M+H-H2O]+ 212.95512 140.4
[M+HCOO]- 274.95606 156.6
[M+CH3COO]- 288.97171 183.0
[M+Na-2H]- 250.93253 150.1
[M]+ 229.95731 158.3
[M]- 229.95841 158.4
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