CID 6451423

2606-51-1

Structural Information

Molecular Formula
C8H7BrO2
SMILES
C1OC2=C(O1)C=C(C=C2)CBr
InChI
InChI=1S/C8H7BrO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
InChIKey
UNYHRXLMTSXVIB-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

410
Patents

213.96294 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

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