CID 44119829

871332-99-9

Structural Information

Molecular Formula

C₉H₁₄BNO₄S

SMILES

B(C1=C(C=CC(=C1)S(=O)(=O)N(C)C)C)(O)O

InChI

InChI=1S/C9H14BNO4S/c1-7-4-5-8(6-9(7)10(12)13)16(14,15)11(2)3/h4-6,12-13H,1-3H3

InChIKey

ISKRAODOAGHCKV-UHFFFAOYSA-N

Compound name

[5-(dimethylsulfamoyl)-2-methylphenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 243.07365 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]+	244.08093	151.6
[M+Na]+	266.06287	160.7
[M+NH4]+	261.10747	157.7
[M+K]+	282.03681	156.3
[M-H]-	242.06637	151.2
[M+Na-2H]-	264.04832	155.1
[M]+	243.07310	153.0
[M]-	243.07420	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe