CID 117071

71215-81-1

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂S

SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)C

InChI

InChI=1S/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3

InChIKey

SOWYLSRVTBKKJE-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 11
Patents: 310.0543 Da
Monoisotopic Mass: 3.1
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]+	311.061576	168.0
[M+Na]+	333.043518	178.0
[M-H]-	309.047024	175.3
[M+NH4]+	328.088123	183.9
[M+K]+	349.017458	171.3
[M+H-H2O]+	293.051560	161.9
[M+HCOO]-	355.052501	183.1
[M+CH3COO]-	369.068151	206.5
[M+Na-2H]-	331.028966	170.6
[M]+	310.05375142	171.5
[M]-	310.05484858	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe