CID 9150144

4-amino-n-[(4-chlorophenyl)methyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C13H13ClN2O2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9,15H2
InChIKey
SWVGTNYFDHQAOW-UHFFFAOYSA-N
Compound name
4-amino-N-[(4-chlorophenyl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

296.03864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 163.3
[M+Na]+ 319.02786 172.0
[M-H]- 295.03136 170.0
[M+NH4]+ 314.07246 179.1
[M+K]+ 335.00180 165.4
[M+H-H2O]+ 279.03590 156.9
[M+HCOO]- 341.03684 178.8
[M+CH3COO]- 355.05249 201.0
[M+Na-2H]- 317.01331 167.8
[M]+ 296.03809 165.6
[M]- 296.03919 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe