CID 5320

Sulfacetamide

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

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

InChI

InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

InChIKey

SKIVFJLNDNKQPD-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1540
References: 32627
Patents: 214.04121 Da
Monoisotopic Mass: -1.0
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]+	215.04849	142.9
[M+Na]+	237.03043	150.6
[M-H]-	213.03393	146.5
[M+NH4]+	232.07503	161.1
[M+K]+	253.00437	147.8
[M+H-H2O]+	197.03847	136.8
[M+HCOO]-	259.03941	162.3
[M+CH3COO]-	273.05506	186.7
[M+Na-2H]-	235.01588	147.1
[M]+	214.04066	143.3
[M]-	214.04176	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe