CID 2734364

4-(methanesulfonyl)phenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3968
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

literature stripe

Patent stripe

patents stripe