CID 733944

N-methyl-n-phenylmethanesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

533
Patents

185.05106 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 136.1
[M+Na]+ 208.040278 144.2
[M-H]- 184.043784 141.7
[M+NH4]+ 203.084883 156.8
[M+K]+ 224.014218 143.0
[M+H-H2O]+ 168.048320 130.3
[M+HCOO]- 230.049261 156.4
[M+CH3COO]- 244.064911 183.1
[M+Na-2H]- 206.025726 141.9
[M]+ 185.05051142 139.3
[M]- 185.05160858 139.3
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