CID 697873

2-cyano-n,n-dimethylbenzenesulfonamide

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CN(C)S(=O)(=O)C1=CC=CC=C1C#N
InChI
InChI=1S/C9H10N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3
InChIKey
HDKMCORZIWAQDA-UHFFFAOYSA-N
Compound name
2-cyano-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

41
Patents

210.0463 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe