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

7
Patents

241.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.965136 145.3
[M+Na]+ 264.947078 157.3
[M-H]- 240.950584 152.2
[M+NH4]+ 259.991683 167.4
[M+K]+ 280.921018 147.9
[M+H-H2O]+ 224.955120 146.5
[M+HCOO]- 286.956061 164.1
[M+CH3COO]- 300.971711 185.2
[M+Na-2H]- 262.932526 151.7
[M]+ 241.95731142 164.3
[M]- 241.95840858 164.3
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