CID 21073

Sah 1462

Structural Information

Molecular Formula

C₈H₁₀Cl₂N₂O₂S

SMILES

CN(CC1=C(C=C(C=C1)Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C8H10Cl2N2O2S/c1-12(15(11,13)14)5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3,(H2,11,13,14)

InChIKey

ZGLVYSGVOOIUBG-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 267.984 Da
Monoisotopic Mass: 1.6
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]+	268.991276	152.5
[M+Na]+	290.973218	162.0
[M-H]-	266.976724	157.3
[M+NH4]+	286.017823	170.8
[M+K]+	306.947158	157.2
[M+H-H2O]+	250.981260	148.5
[M+HCOO]-	312.982201	163.4
[M+CH3COO]-	326.997851	198.0
[M+Na-2H]-	288.958666	155.1
[M]+	267.98345142	157.4
[M]-	267.98454858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe