CID 16427145

(2,2-difluoro-1,3-dioxaindan-4-yl)boronic acid

Structural Information

Molecular Formula
C7H5BF2O4
SMILES
B(C1=C2C(=CC=C1)OC(O2)(F)F)(O)O
InChI
InChI=1S/C7H5BF2O4/c9-7(10)13-5-3-1-2-4(8(11)12)6(5)14-7/h1-3,11-12H
InChIKey
GCIIKWAIWSFGLA-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1,3-benzodioxol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

202.0249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03218 133.2
[M+Na]+ 225.01412 143.2
[M-H]- 201.01762 134.6
[M+NH4]+ 220.05872 153.4
[M+K]+ 240.98806 143.1
[M+H-H2O]+ 185.02216 128.0
[M+HCOO]- 247.02310 150.2
[M+CH3COO]- 261.03875 177.0
[M+Na-2H]- 222.99957 140.4
[M]+ 202.02435 132.5
[M]- 202.02545 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