CID 3779308

571150-08-8

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂S

SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)N)Cl

InChI

InChI=1S/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4,12H2,1-2H3

InChIKey

JJYDDVHNVRFVNS-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 262.0543 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]+	263.061576	155.3
[M+Na]+	285.043518	163.8
[M-H]-	261.047024	160.4
[M+NH4]+	280.088123	173.6
[M+K]+	301.017458	159.8
[M+H-H2O]+	245.051560	149.9
[M+HCOO]-	307.052501	170.6
[M+CH3COO]-	321.068151	199.5
[M+Na-2H]-	283.028966	157.7
[M]+	262.05375142	160.0
[M]-	262.05484858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe