CID 45933628

648904-83-0

Structural Information

Molecular Formula
C7H8BFO4S
SMILES
B(C1=CC(=C(C=C1)S(=O)(=O)C)F)(O)O
InChI
InChI=1S/C7H8BFO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChIKey
RJKFNKNDTBNEST-UHFFFAOYSA-N
Compound name
(3-fluoro-4-methylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

218.02203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02931 143.5
[M+Na]+ 241.01125 153.1
[M+NH4]+ 236.05585 149.4
[M+K]+ 256.98519 148.3
[M-H]- 217.01475 141.1
[M+Na-2H]- 238.99670 146.6
[M]+ 218.02148 144.4
[M]- 218.02258 144.4
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