CID 43143864

4-bromo-6-(chloromethyl)-2h-1,3-benzodioxole

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]+ 248.93125 143.8
[M+Na]+ 270.91319 148.6
[M+NH4]+ 265.95779 149.9
[M+K]+ 286.88713 149.4
[M-H]- 246.91669 146.9
[M+Na-2H]- 268.89864 145.8
[M]+ 247.92342 144.5
[M]- 247.92452 144.5
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.