CID 225817

6642-34-8

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1OC2=C(O1)C=C(C(=C2)CO)Br
InChI
InChI=1S/C8H7BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2
InChIKey
XYYBAJXSNPIXTC-UHFFFAOYSA-N
Compound name
(6-bromo-1,3-benzodioxol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

229.95786 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 141.7
[M+Na]+ 252.94708 144.8
[M+NH4]+ 247.99168 146.8
[M+K]+ 268.92102 147.2
[M-H]- 228.95058 143.9
[M+Na-2H]- 250.93253 142.7
[M]+ 229.95731 141.6
[M]- 229.95841 141.6
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