CID 464835

54254-41-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

C1=CC=C(C(=C1)N)S(=O)(=O)N2C=CC=C2

InChI

InChI=1S/C10H10N2O2S/c11-9-5-1-2-6-10(9)15(13,14)12-7-3-4-8-12/h1-8H,11H2

InChIKey

TXCDRQWMDKLTEU-UHFFFAOYSA-N

Compound name

2-pyrrol-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 222.0463 Da
Monoisotopic Mass: 1.8
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]+	223.05358	146.5
[M+Na]+	245.03552	156.2
[M-H]-	221.03902	152.5
[M+NH4]+	240.08012	165.3
[M+K]+	261.00946	152.2
[M+H-H2O]+	205.04356	140.0
[M+HCOO]-	267.04450	166.3
[M+CH3COO]-	281.06015	184.5
[M+Na-2H]-	243.02097	150.5
[M]+	222.04575	147.5
[M]-	222.04685	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe