CID 2117579

222409-98-5

Structural Information

Molecular Formula

C₁₁H₁₅NO₄S

SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-11(2,3)12-17(15,16)9-6-4-5-8(7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14)

InChIKey

SDXFCMYPDCRZHF-UHFFFAOYSA-N

Compound name

3-(tert-butylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 257.07217 Da
Monoisotopic Mass: 1.4
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]+	258.07945	157.5
[M+Na]+	280.06139	166.0
[M+NH4]+	275.10599	163.0
[M+K]+	296.03533	161.5
[M-H]-	256.06489	156.4
[M+Na-2H]-	278.04684	161.1
[M]+	257.07162	158.6
[M]-	257.07272	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe