CID 115048363

1256822-33-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 146.1
[M+Na]+ 280.94198 156.8
[M-H]- 256.94548 153.1
[M+NH4]+ 275.98658 164.3
[M+K]+ 296.91592 149.0
[M+H-H2O]+ 240.95002 146.3
[M+HCOO]- 302.95096 161.9
[M+CH3COO]- 316.96661 188.0
[M+Na-2H]- 278.92743 154.7
[M]+ 257.95221 165.0
[M]- 257.95331 165.0
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