CID 75219

1-(p-toluenesulfonyl)imidazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CN=C2

InChI

InChI=1S/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3

InChIKey

YJYMYJRAQYREBT-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 683
Patents: 222.0463 Da
Monoisotopic Mass: 1.6
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]+	223.05358	147.4
[M+Na]+	245.03552	160.2
[M+NH4]+	240.08012	155.1
[M+K]+	261.00946	154.3
[M-H]-	221.03902	149.1
[M+Na-2H]-	243.02097	154.8
[M]+	222.04575	150.1
[M]-	222.04685	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe