CID 278291

60546-62-5

Structural Information

Molecular Formula
C8H5BrO4
SMILES
C1OC2=C(O1)C=C(C(=C2)C(=O)O)Br
InChI
InChI=1S/C8H5BrO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H,10,11)
InChIKey
NRFYLBBOKXFHMO-UHFFFAOYSA-N
Compound name
6-bromo-1,3-benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

243.93712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.94440 142.7
[M+Na]+ 266.92634 145.1
[M+NH4]+ 261.97094 147.0
[M+K]+ 282.90028 148.7
[M-H]- 242.92984 144.1
[M+Na-2H]- 264.91179 143.0
[M]+ 243.93657 142.1
[M]- 243.93767 142.1
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