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 164.1
[M+Na]+ 300.95757 175.1
[M-H]- 276.96107 167.9
[M+NH4]+ 296.00217 180.1
[M+K]+ 316.93151 169.5
[M+H-H2O]+ 260.96561 153.9
[M+HCOO]- 322.96655 170.6
[M+CH3COO]- 336.98220 205.0
[M+Na-2H]- 298.94302 166.3
[M]+ 277.96780 163.4
[M]- 277.96890 163.4
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.