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

656
Patents

200.03146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03874 137.3
[M+Na]+ 223.02068 145.5
[M-H]- 199.02418 138.8
[M+NH4]+ 218.06528 155.6
[M+K]+ 238.99462 142.8
[M+H-H2O]+ 183.02872 132.5
[M+HCOO]- 245.02966 152.6
[M+CH3COO]- 259.04531 175.3
[M+Na-2H]- 221.00613 141.1
[M]+ 200.03091 138.8
[M]- 200.03201 138.8
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