CID 44119633

871329-60-1

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: 34
Patents: 271.06857 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.07585	155.6
[M+Na]+	294.05779	165.1
[M+NH4]+	289.10239	161.4
[M+K]+	310.03173	160.7
[M-H]-	270.06129	156.9
[M+Na-2H]-	292.04324	159.6
[M]+	271.06802	157.5
[M]-	271.06912	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe