CID 9942744

5-chloro-n,n,2-trimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₂ClNO₂S

SMILES

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

InChI

InChI=1S/C9H12ClNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3

InChIKey

CRRKMBPWCSXDGH-UHFFFAOYSA-N

Compound name

5-chloro-N,N,2-trimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.02773 Da
Monoisotopic Mass: 2.1
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]+	234.03501	149.2
[M+Na]+	256.01695	161.7
[M+NH4]+	251.06155	157.7
[M+K]+	271.99089	154.0
[M-H]-	232.02045	151.2
[M+Na-2H]-	254.00240	155.2
[M]+	233.02718	152.3
[M]-	233.02828	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe