CID 3613938

10475-06-6

Structural Information

Molecular Formula

C₈H₁₁ClN₂O₂S

SMILES

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

InChI

InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)8-5-6(10)3-4-7(8)9/h3-5H,10H2,1-2H3

InChIKey

ODCHLWPLEOVWHX-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 234.02298 Da
Monoisotopic Mass: 1.0
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]+	235.030256	146.3
[M+Na]+	257.012198	155.7
[M-H]-	233.015704	151.8
[M+NH4]+	252.056803	165.7
[M+K]+	272.986138	152.1
[M+H-H2O]+	217.020240	141.3
[M+HCOO]-	279.021181	162.2
[M+CH3COO]-	293.036831	193.5
[M+Na-2H]-	254.997646	149.7
[M]+	234.02243142	150.3
[M]-	234.02352858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe