CID 4683195

499769-88-9

Structural Information

Molecular Formula
C8H9BO4
SMILES
B(C1=C2C(=CC=C1)OCCO2)(O)O
InChI
InChI=1S/C8H9BO4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3,10-11H,4-5H2
InChIKey
MCWPMXPNJVZOTP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

180.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06667 132.8
[M+Na]+ 203.04861 139.5
[M-H]- 179.05211 135.8
[M+NH4]+ 198.09321 149.7
[M+K]+ 219.02255 140.1
[M+H-H2O]+ 163.05665 127.3
[M+HCOO]- 225.05759 149.5
[M+CH3COO]- 239.07324 174.3
[M+Na-2H]- 201.03406 141.5
[M]+ 180.05884 131.8
[M]- 180.05994 131.8
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