CID 71771972

905858-63-1

Structural Information

Molecular Formula

C₁₄H₁₅NO₅S₂

SMILES

CS(=O)(=O)N(C1=CC=CC=C1OC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15NO5S2/c1-21(16,17)15(22(2,18)19)13-10-6-7-11-14(13)20-12-8-4-3-5-9-12/h3-11H,1-2H3

InChIKey

GLTNBGDWZIVPRX-UHFFFAOYSA-N

Compound name

N-methylsulfonyl-N-(2-phenoxyphenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.03915 Da
Monoisotopic Mass: 2.5
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]+	342.046426	175.5
[M+Na]+	364.028368	182.9
[M-H]-	340.031874	183.2
[M+NH4]+	359.072973	189.1
[M+K]+	380.002308	179.1
[M+H-H2O]+	324.036410	167.7
[M+HCOO]-	386.037351	189.1
[M+CH3COO]-	400.053001	207.6
[M+Na-2H]-	362.013816	180.6
[M]+	341.03860142	181.3
[M]-	341.03969858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.