CID 130119675

6-bromo-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

Structural Information

Molecular Formula
C9H7BrO4
SMILES
C1C(OC2=C(O1)C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C9H7BrO4/c10-5-1-2-6-7(3-5)13-4-8(14-6)9(11)12/h1-3,8H,4H2,(H,11,12)
InChIKey
NDDKYTHPPVTRJD-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.95276 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe