CID 2773529

850567-97-4

Structural Information

Molecular Formula
C7H9BO3S
SMILES
B(C1=CC=CC=C1S(=O)C)(O)O
InChI
InChI=1S/C7H9BO3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKey
PHORKVSBWZGTEX-UHFFFAOYSA-N
Compound name
(2-methylsulfinylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

184.03654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04382 135.5
[M+Na]+ 207.02576 146.2
[M+NH4]+ 202.07036 143.2
[M+K]+ 222.99970 140.4
[M-H]- 183.02926 135.9
[M+Na-2H]- 205.01121 140.1
[M]+ 184.03599 137.4
[M]- 184.03709 137.4
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