CID 504040

857621-84-2

Structural Information

Molecular Formula

C₁₄H₁₃NO₄S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H13NO4S/c1-10(16)15-11-2-6-13(7-3-11)20(18,19)14-8-4-12(17)5-9-14/h2-9,17H,1H3,(H,15,16)

InChIKey

MHBIKFMTFMCNKI-UHFFFAOYSA-N

Compound name

N-[4-(4-hydroxyphenyl)sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 291.05652 Da
Monoisotopic Mass: 1.3
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]+	292.063796	162.9
[M+Na]+	314.045738	170.5
[M-H]-	290.049244	168.8
[M+NH4]+	309.090343	177.6
[M+K]+	330.019678	166.2
[M+H-H2O]+	274.053780	155.9
[M+HCOO]-	336.054721	180.4
[M+CH3COO]-	350.070371	197.1
[M+Na-2H]-	312.031186	166.7
[M]+	291.05597142	164.7
[M]-	291.05706858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe