CID 2776178

(2,3-dihydro-1,4-benzodioxin-6-yl)boronic acid

Structural Information

Molecular Formula
C8H9BO4
SMILES
B(C1=CC2=C(C=C1)OCCO2)(O)O
InChI
InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
InChIKey
SQDUGGGBJXULJR-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1236
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

literature stripe

Patent stripe

patents stripe