CID 119084466

1298033-59-6

Structural Information

Molecular Formula

C₆H₉BN₂O₄S

SMILES

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

InChI

InChI=1S/C6H9BN2O4S/c8-14(12,13)9-6-3-1-5(2-4-6)7(10)11/h1-4,9-11H,(H2,8,12,13)

InChIKey

QMGDIQUQLJYZNX-UHFFFAOYSA-N

Compound name

[4-(sulfamoylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.03761 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]+	217.04489	140.3
[M+Na]+	239.02683	146.9
[M-H]-	215.03033	141.0
[M+NH4]+	234.07143	156.7
[M+K]+	255.00077	143.8
[M+H-H2O]+	199.03487	134.4
[M+HCOO]-	261.03581	157.0
[M+CH3COO]-	275.05146	182.2
[M+Na-2H]-	237.01228	144.5
[M]+	216.03706	138.7
[M]-	216.03816	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe