CID 229148

5-bromo-6-hydroxy-1,3-benzodioxole

Structural Information

Molecular Formula
C7H5BrO3
SMILES
C1OC2=C(O1)C=C(C(=C2)O)Br
InChI
InChI=1S/C7H5BrO3/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2,9H,3H2
InChIKey
TUYBCLHMZFLWRY-UHFFFAOYSA-N
Compound name
6-bromo-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1667
Patents

215.94221 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94949 137.2
[M+Na]+ 238.93143 150.1
[M-H]- 214.93493 144.8
[M+NH4]+ 233.97603 159.2
[M+K]+ 254.90537 142.1
[M+H-H2O]+ 198.93947 138.8
[M+HCOO]- 260.94041 156.4
[M+CH3COO]- 274.95606 153.4
[M+Na-2H]- 236.91688 146.5
[M]+ 215.94166 157.4
[M]- 215.94276 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe