CID 130058721

1392415-62-1

Structural Information

Molecular Formula
C7H6BClO4
SMILES
B(C1=C(C2=C(C=C1)OCO2)Cl)(O)O
InChI
InChI=1S/C7H6BClO4/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,10-11H,3H2
InChIKey
UTYXAXODQACACN-UHFFFAOYSA-N
Compound name
(4-chloro-1,3-benzodioxol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01204 134.4
[M+Na]+ 222.99398 146.6
[M+NH4]+ 218.03858 142.7
[M+K]+ 238.96792 144.6
[M-H]- 198.99748 137.4
[M+Na-2H]- 220.97943 137.6
[M]+ 200.00421 137.1
[M]- 200.00531 137.1
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

No patent data available for this compound.