CID 210794

4-(morpholinosulfonyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2

InChIKey

FTKHPQFFQRKOJC-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 542
Patents: 242.07251 Da
Monoisotopic Mass: 0.0
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]+	243.07979	150.7
[M+Na]+	265.06173	157.1
[M-H]-	241.06523	155.9
[M+NH4]+	260.10633	165.1
[M+K]+	281.03567	154.9
[M+H-H2O]+	225.06977	143.4
[M+HCOO]-	287.07071	164.8
[M+CH3COO]-	301.08636	188.0
[M+Na-2H]-	263.04718	155.4
[M]+	242.07196	148.4
[M]-	242.07306	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe