CID 22505967

4-(bromomethyl)benzo[d][1,3]dioxole

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1OC2=CC=CC(=C2O1)CBr
InChI
InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2
InChIKey
NXSORIZRMNGQNL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

213.96294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 137.7
[M+Na]+ 236.95216 141.5
[M+NH4]+ 231.99676 143.7
[M+K]+ 252.92610 143.1
[M-H]- 212.95566 140.8
[M+Na-2H]- 234.93761 139.9
[M]+ 213.96239 138.0
[M]- 213.96349 138.0
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