CID 70877959

6-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H7BrO3
SMILES
C1C(OC2=C1C=CC(=C2)Br)C(=O)O
InChI
InChI=1S/C9H7BrO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H,11,12)
InChIKey
OCVAAFRREAQYGY-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96514 144.1
[M+Na]+ 264.94708 146.4
[M+NH4]+ 259.99168 148.8
[M+K]+ 280.92102 149.1
[M-H]- 240.95058 144.8
[M+Na-2H]- 262.93253 144.9
[M]+ 241.95731 143.3
[M]- 241.95841 143.3
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