CID 2990611

59820-91-6

Structural Information

Molecular Formula
C9H7BrO4
SMILES
C1COC2=C(O1)C=C(C(=C2)Br)C(=O)O
InChI
InChI=1S/C9H7BrO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2H2,(H,11,12)
InChIKey
DMPSJWYHZMDSPL-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

257.95276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96004 142.3
[M+Na]+ 280.94198 145.5
[M+NH4]+ 275.98658 146.7
[M+K]+ 296.91592 147.4
[M-H]- 256.94548 144.4
[M+Na-2H]- 278.92743 143.6
[M]+ 257.95221 142.1
[M]- 257.95331 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