CID 100923

59000-84-9

Structural Information

Molecular Formula

C₈H₁₀Cl₂N₂O₂S

SMILES

CCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C8H10Cl2N2O2S/c1-2-12-15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3

InChIKey

YFXVCZINZDQVCR-UHFFFAOYSA-N

Compound name

4-amino-2,5-dichloro-N-ethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 267.984 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]+	268.99128	152.8
[M+Na]+	290.97322	163.0
[M-H]-	266.97672	156.5
[M+NH4]+	286.01782	170.8
[M+K]+	306.94716	156.9
[M+H-H2O]+	250.98126	149.3
[M+HCOO]-	312.98220	163.2
[M+CH3COO]-	326.99785	195.9
[M+Na-2H]-	288.95867	155.4
[M]+	267.98345	156.7
[M]-	267.98455	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe