CID 12246982

36959-70-3

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S

SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H10ClNO2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

VURHMMRCYKRHOT-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 219.01208 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]+	220.019356	142.2
[M+Na]+	242.001298	150.9
[M-H]-	218.004804	147.7
[M+NH4]+	237.045903	162.3
[M+K]+	257.975238	147.8
[M+H-H2O]+	202.009340	137.2
[M+HCOO]-	264.010281	158.0
[M+CH3COO]-	278.025931	186.9
[M+Na-2H]-	239.986746	147.5
[M]+	219.01153142	147.3
[M]-	219.01262858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe