CID 44119815

874219-52-0

Structural Information

Molecular Formula
C11H16BNO5S
SMILES
B(C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)(O)O
InChI
InChI=1S/C11H16BNO5S/c1-18-10-5-4-9(12(14)15)8-11(10)19(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKey
CMUQRJVOEZOCJL-UHFFFAOYSA-N
Compound name
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

285.08423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09151 161.6
[M+Na]+ 308.07345 169.7
[M+NH4]+ 303.11805 167.0
[M+K]+ 324.04739 167.1
[M-H]- 284.07695 160.8
[M+Na-2H]- 306.05890 164.5
[M]+ 285.08368 162.6
[M]- 285.08478 162.6
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