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]+ 211.053576 152.1
[M+Na]+ 233.035518 162.4
[M-H]- 209.039024 156.2
[M+NH4]+ 228.080123 169.4
[M+K]+ 249.009458 159.3
[M+H-H2O]+ 193.043560 139.8
[M+HCOO]- 255.044501 168.0
[M+CH3COO]- 269.060151 196.9
[M+Na-2H]- 231.020966 156.3
[M]+ 210.04575142 149.3
[M]- 210.04684858 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