CID 4868344

790681-96-8

Structural Information

Molecular Formula
C12H17ClN2O3S
SMILES
CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)Cl
InChI
InChI=1S/C12H17ClN2O3S/c1-8(2)15-19(17,18)11-6-4-10(5-7-11)14-12(16)9(3)13/h4-9,15H,1-3H3,(H,14,16)
InChIKey
CEMCLKQOSYFSLZ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07213 167.7
[M+Na]+ 327.05407 176.1
[M+NH4]+ 322.09867 173.7
[M+K]+ 343.02801 170.5
[M-H]- 303.05757 168.0
[M+Na-2H]- 325.03952 171.3
[M]+ 304.06430 169.4
[M]- 304.06540 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.