CID 18971409

4-chloro-2-cyanobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₅ClN₂O₂S

SMILES

C1=CC(=C(C=C1Cl)C#N)S(=O)(=O)N

InChI

InChI=1S/C7H5ClN2O2S/c8-6-1-2-7(13(10,11)12)5(3-6)4-9/h1-3H,(H2,10,11,12)

InChIKey

CKYIFWQORONJHP-UHFFFAOYSA-N

Compound name

4-chloro-2-cyanobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 215.97603 Da
Monoisotopic Mass: 0.8
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]+	216.983306	150.9
[M+Na]+	238.965248	163.3
[M-H]-	214.968754	155.3
[M+NH4]+	234.009853	168.8
[M+K]+	254.939188	158.9
[M+H-H2O]+	198.973290	140.3
[M+HCOO]-	260.974231	162.7
[M+CH3COO]-	274.989881	195.4
[M+Na-2H]-	236.950696	154.0
[M]+	215.97548142	148.5
[M]-	215.97657858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe