CID 547321

N-(p-tolylsulfonylmethyl)formamide

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC=O

InChI

InChI=1S/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)

InChIKey

XEHIIYMZJQMMCF-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)sulfonylmethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 63
Patents: 213.04596 Da
Monoisotopic Mass: 0.9
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]+	214.05324	145.2
[M+Na]+	236.03518	155.9
[M+NH4]+	231.07978	152.4
[M+K]+	252.00912	148.8
[M-H]-	212.03868	146.1
[M+Na-2H]-	234.02063	150.6
[M]+	213.04541	147.3
[M]-	213.04651	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe