CID 44119633

3-(morpholin-4-ylsulphonyl)benzeneboronic acid

Structural Information

Molecular Formula
C10H14BNO5S
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C10H14BNO5S/c13-11(14)9-2-1-3-10(8-9)18(15,16)12-4-6-17-7-5-12/h1-3,8,13-14H,4-7H2
InChIKey
HIKVVOUXXNJGAK-UHFFFAOYSA-N
Compound name
(3-morpholin-4-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

271.06857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07585 155.0
[M+Na]+ 294.05779 160.3
[M-H]- 270.06129 157.9
[M+NH4]+ 289.10239 167.2
[M+K]+ 310.03173 158.5
[M+H-H2O]+ 254.06583 148.3
[M+HCOO]- 316.06677 165.0
[M+CH3COO]- 330.08242 186.5
[M+Na-2H]- 292.04324 158.6
[M]+ 271.06802 153.5
[M]- 271.06912 153.5
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