CID 112364

70146-09-7

Structural Information

Molecular Formula

C₁₃H₁₂ClNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C13H12ClNO2S/c1-9-2-5-11(6-3-9)18(16,17)13-7-4-10(14)8-12(13)15/h2-8H,15H2,1H3

InChIKey

YDSSEPWFAJNLSK-UHFFFAOYSA-N

Compound name

5-chloro-2-(4-methylphenyl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 281.02774 Da
Monoisotopic Mass: 2.7
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]+	282.03502	161.1
[M+Na]+	304.01696	175.7
[M+NH4]+	299.06156	169.8
[M+K]+	319.99090	166.5
[M-H]-	280.02046	165.5
[M+Na-2H]-	302.00241	169.6
[M]+	281.02719	165.4
[M]-	281.02829	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe