CID 4997616

Boronic acid, b-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-

Structural Information

Molecular Formula

C₁₀H₁₆BNO₄S

SMILES

B(C1=CC=CC=C1S(=O)(=O)NC(C)(C)C)(O)O

InChI

InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-7-5-4-6-8(9)11(13)14/h4-7,12-14H,1-3H3

InChIKey

TUEIURIZJQRMQE-UHFFFAOYSA-N

Compound name

[2-(tert-butylsulfamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2921
Patents: 257.0893 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]+	258.096576	154.6
[M+Na]+	280.078518	160.8
[M-H]-	256.082024	155.6
[M+NH4]+	275.123123	170.3
[M+K]+	296.052458	157.9
[M+H-H2O]+	240.086560	149.2
[M+HCOO]-	302.087501	168.3
[M+CH3COO]-	316.103151	189.2
[M+Na-2H]-	278.063966	158.5
[M]+	257.08875142	155.7
[M]-	257.08984858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe