CID 9106555

1-(2-cyanophenyl)-n-methylmethanesulfonamide

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CNS(=O)(=O)CC1=CC=CC=C1C#N
InChI
InChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3
InChIKey
WNDNPRAXAXKVGM-UHFFFAOYSA-N
Compound name
1-(2-cyanophenyl)-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.0463 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 152.1
[M+Na]+ 233.03552 162.4
[M-H]- 209.03902 156.2
[M+NH4]+ 228.08012 169.4
[M+K]+ 249.00946 159.3
[M+H-H2O]+ 193.04356 139.8
[M+HCOO]- 255.04450 168.0
[M+CH3COO]- 269.06015 196.9
[M+Na-2H]- 231.02097 156.3
[M]+ 210.04575 149.3
[M]- 210.04685 149.3
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

patents stripe