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

315
Patents

180.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.066666 132.8
[M+Na]+ 203.048608 139.5
[M-H]- 179.052114 135.8
[M+NH4]+ 198.093213 149.7
[M+K]+ 219.022548 140.1
[M+H-H2O]+ 163.056650 127.3
[M+HCOO]- 225.057591 149.5
[M+CH3COO]- 239.073241 174.3
[M+Na-2H]- 201.034056 141.5
[M]+ 180.05884142 131.8
[M]- 180.05993858 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