CID 43143864

65673-82-7

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
C1OC2=C(O1)C(=CC(=C2)CCl)Br
InChI
InChI=1S/C8H6BrClO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4H2
InChIKey
SJBPZFVJNASLBI-UHFFFAOYSA-N
Compound name
4-bromo-6-(chloromethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.92397 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.931246 145.2
[M+Na]+ 270.913188 159.3
[M-H]- 246.916694 153.8
[M+NH4]+ 265.957793 167.6
[M+K]+ 286.887128 149.6
[M+H-H2O]+ 230.921230 147.3
[M+HCOO]- 292.922171 160.9
[M+CH3COO]- 306.937821 161.5
[M+Na-2H]- 268.898636 153.9
[M]+ 247.92342142 167.8
[M]- 247.92451858 167.8
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

No patent data available for this compound.