CID 2776189

4-bromo-1,3-benzodioxole

Structural Information

Molecular Formula
C7H5BrO2
SMILES
C1OC2=C(O1)C(=CC=C2)Br
InChI
InChI=1S/C7H5BrO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChIKey
VZPMQHSDFWAZHP-UHFFFAOYSA-N
Compound name
4-bromo-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

199.9473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.95458 133.1
[M+Na]+ 222.93652 137.0
[M+NH4]+ 217.98112 139.2
[M+K]+ 238.91046 138.9
[M-H]- 198.94002 136.2
[M+Na-2H]- 220.92197 135.6
[M]+ 199.94675 133.4
[M]- 199.94785 133.4
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