CID 8467960

3-cyano-n,n-dimethylbenzenesulfonamide

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
InChIKey
XXZJKIAEWPTBDI-UHFFFAOYSA-N
Compound name
3-cyano-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

210.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 151.9
[M+Na]+ 233.03552 162.2
[M-H]- 209.03902 157.3
[M+NH4]+ 228.08012 169.7
[M+K]+ 249.00946 160.4
[M+H-H2O]+ 193.04356 139.3
[M+HCOO]- 255.04450 168.2
[M+CH3COO]- 269.06015 200.0
[M+Na-2H]- 231.02097 155.5
[M]+ 210.04575 150.1
[M]- 210.04685 150.1
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.