CID 56604620

1349718-86-0

Structural Information

Molecular Formula

C₁₃H₁₃NO₃S

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CO)S(=O)(=O)N

InChI

InChI=1S/C13H13NO3S/c14-18(16,17)13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2,(H2,14,16,17)

InChIKey

WGDLNZQTRPKSKN-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)phenyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 263.0616 Da
Monoisotopic Mass: 1.2
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	156.5
[M+Na]+	286.050818	164.8
[M-H]-	262.054324	161.9
[M+NH4]+	281.095423	172.3
[M+K]+	302.024758	159.7
[M+H-H2O]+	246.058860	149.7
[M+HCOO]-	308.059801	174.3
[M+CH3COO]-	322.075451	192.0
[M+Na-2H]-	284.036266	160.6
[M]+	263.06105142	157.0
[M]-	263.06214858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe