CID 17750030

190903-71-0

Structural Information

Molecular Formula
C7H5BF2O4
SMILES
B(C1=CC2=C(C=C1)OC(O2)(F)F)(O)O
InChI
InChI=1S/C7H5BF2O4/c9-7(10)13-5-2-1-4(8(11)12)3-6(5)14-7/h1-3,11-12H
InChIKey
OTTIPUIRDXSIBG-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

202.0249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03218 139.4
[M+Na]+ 225.01412 148.7
[M+NH4]+ 220.05872 146.9
[M+K]+ 240.98806 145.7
[M-H]- 201.01762 139.0
[M+Na-2H]- 222.99957 142.1
[M]+ 202.02435 140.4
[M]- 202.02545 140.4
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