CID 835475

N-(4-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKey
JSSIRQJITXDDGR-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

777
Patents

185.05106 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 136.0
[M+Na]+ 208.04028 144.8
[M-H]- 184.04378 140.3
[M+NH4]+ 203.08488 156.3
[M+K]+ 224.01422 142.1
[M+H-H2O]+ 168.04832 130.5
[M+HCOO]- 230.04926 155.7
[M+CH3COO]- 244.06491 180.8
[M+Na-2H]- 206.02573 141.7
[M]+ 185.05051 138.2
[M]- 185.05161 138.2
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