CID 46739436

943830-75-9

Structural Information

Molecular Formula
C7H6BFO4
SMILES
B(C1=C(C2=C(C=C1)OCO2)F)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-4(8(10)11)1-2-5-7(6)13-3-12-5/h1-2,10-11H,3H2
InChIKey
IIUUBGPDUHFEQA-UHFFFAOYSA-N
Compound name
(4-fluoro-1,3-benzodioxol-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 134.4
[M+Na]+ 207.02354 144.7
[M+NH4]+ 202.06814 141.5
[M+K]+ 222.99748 143.4
[M-H]- 183.02704 135.6
[M+Na-2H]- 205.00899 136.4
[M]+ 184.03377 135.9
[M]- 184.03487 135.9
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