CID 574193

4-chloro-n-(2-chloro-2-cyanoethyl)benzenesulfonamide

Structural Information

Molecular Formula
C9H8Cl2N2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)NCC(C#N)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O2S/c10-7-1-3-9(4-2-7)16(14,15)13-6-8(11)5-12/h1-4,8,13H,6H2
InChIKey
UPRVAJNQWSDYRS-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-chloro-2-cyanoethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.96835 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97563 153.0
[M+Na]+ 300.95757 164.1
[M+NH4]+ 296.00217 157.4
[M+K]+ 316.93151 153.9
[M-H]- 276.96107 147.1
[M+Na-2H]- 298.94302 156.2
[M]+ 277.96780 153.0
[M]- 277.96890 153.0
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.