CID 4146601

5,6-dibromo-2,2-dimethyl-1,3-benzodioxole

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
CC1(OC2=CC(=C(C=C2O1)Br)Br)C
InChI
InChI=1S/C9H8Br2O2/c1-9(2)12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,1-2H3
InChIKey
OIZDJNUXYCYWEY-UHFFFAOYSA-N
Compound name
5,6-dibromo-2,2-dimethyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

305.8891 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89638 146.0
[M+Na]+ 328.87832 158.8
[M-H]- 304.88182 155.1
[M+NH4]+ 323.92292 167.2
[M+K]+ 344.85226 146.4
[M+H-H2O]+ 288.88636 155.9
[M+HCOO]- 350.88730 160.9
[M+CH3COO]- 364.90295 203.6
[M+Na-2H]- 326.86377 154.4
[M]+ 305.88855 182.9
[M]- 305.88965 182.9
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

patents stripe