CID 74327

1694-06-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N

InChI

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

InChIKey

RUTYWCZSEBLPAK-UHFFFAOYSA-N

Compound name

(4-methylphenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 342
Patents: 214.04121 Da
Monoisotopic Mass: 0.6
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	144.4
[M+Na]+	237.03043	153.3
[M+NH4]+	232.07503	150.9
[M+K]+	253.00437	148.1
[M-H]-	213.03393	145.1
[M+Na-2H]-	235.01588	149.1
[M]+	214.04066	146.0
[M]-	214.04176	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe