CID 77347

3743-29-1

Structural Information

Molecular Formula

C₁₃H₁₃NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)O

InChI

InChI=1S/C13H13NO3S/c1-10-5-7-13(8-6-10)18(16,17)14-11-3-2-4-12(15)9-11/h2-9,14-15H,1H3

InChIKey

JKRIULAJORWCLQ-UHFFFAOYSA-N

Compound name

N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 263.0616 Da
Monoisotopic Mass: 2.4
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]+	264.068876	155.9
[M+Na]+	286.050818	164.3
[M-H]-	262.054324	162.0
[M+NH4]+	281.095423	172.1
[M+K]+	302.024758	159.5
[M+H-H2O]+	246.058860	149.2
[M+HCOO]-	308.059801	174.4
[M+CH3COO]-	322.075451	192.5
[M+Na-2H]-	284.036266	161.1
[M]+	263.06105142	157.4
[M]-	263.06214858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe