CID 44119826

871333-02-7

Structural Information

Molecular Formula
C11H16BNO6S
SMILES
B(C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H16BNO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKey
MCYOYCLLZQYKDW-UHFFFAOYSA-N
Compound name
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

301.07913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08641 162.8
[M+Na]+ 324.06835 172.0
[M+NH4]+ 319.11295 167.9
[M+K]+ 340.04229 168.2
[M-H]- 300.07185 163.7
[M+Na-2H]- 322.05380 166.0
[M]+ 301.07858 164.5
[M]- 301.07968 164.5
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