CID 2773539

2-(methylsulfonyl)phenylboronic acid

Structural Information

Molecular Formula
C7H9BO4S
SMILES
B(C1=CC=CC=C1S(=O)(=O)C)(O)O
InChI
InChI=1S/C7H9BO4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKey
MSQFFCRGQPVQRS-UHFFFAOYSA-N
Compound name
(2-methylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

200.03146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03874 139.5
[M+Na]+ 223.02068 149.8
[M+NH4]+ 218.06528 146.3
[M+K]+ 238.99462 144.8
[M-H]- 199.02418 138.7
[M+Na-2H]- 221.00613 143.7
[M]+ 200.03091 141.0
[M]- 200.03201 141.0
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