CID 17750030

(2,2-difluoro-1,3-dioxaindan-5-yl)boronic acid

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
2
Annotation Hits

0
References

236
Patents

202.0249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.032176 133.2
[M+Na]+ 225.014118 143.2
[M-H]- 201.017624 134.6
[M+NH4]+ 220.058723 153.4
[M+K]+ 240.988058 143.1
[M+H-H2O]+ 185.022160 128.0
[M+HCOO]- 247.023101 150.2
[M+CH3COO]- 261.038751 177.0
[M+Na-2H]- 222.999566 140.4
[M]+ 202.02435142 132.5
[M]- 202.02544858 132.5
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