CID 3158001

325724-68-3

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃S

SMILES

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

InChI

InChI=1S/C10H13ClN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2

InChIKey

HJHVNNNCRKMFLQ-UHFFFAOYSA-N

Compound name

4-chloro-3-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 276.03354 Da
Monoisotopic Mass: 0.6
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]+	277.04082	157.2
[M+Na]+	299.02276	165.0
[M-H]-	275.02626	162.7
[M+NH4]+	294.06736	171.4
[M+K]+	314.99670	161.3
[M+H-H2O]+	259.03080	150.8
[M+HCOO]-	321.03174	166.6
[M+CH3COO]-	335.04739	192.9
[M+Na-2H]-	297.00821	160.8
[M]+	276.03299	157.3
[M]-	276.03409	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe