CID 68056

Dichloramine t

Structural Information

Molecular Formula

C₇H₇Cl₂NO₂S

SMILES

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

InChI

InChI=1S/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3

InChIKey

ARGDYOIRHYLIMT-UHFFFAOYSA-N

Compound name

N,N-dichloro-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 2443
Patents: 238.95746 Da
Monoisotopic Mass: 2.5
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]+	239.96474	142.9
[M+Na]+	261.94668	153.0
[M-H]-	237.95018	148.4
[M+NH4]+	256.99128	162.8
[M+K]+	277.92062	148.9
[M+H-H2O]+	221.95472	139.2
[M+HCOO]-	283.95566	153.9
[M+CH3COO]-	297.97131	189.7
[M+Na-2H]-	259.93213	147.3
[M]+	238.95691	148.9
[M]-	238.95801	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe