CID 78858

N-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
SVDVKEBISAOWJT-UHFFFAOYSA-N
Compound name
N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

4641
Patents

171.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 132.0
[M+Na]+ 194.02462 140.4
[M-H]- 170.02812 136.2
[M+NH4]+ 189.06922 152.6
[M+K]+ 209.99856 137.9
[M+H-H2O]+ 154.03266 126.5
[M+HCOO]- 216.03360 152.2
[M+CH3COO]- 230.04925 176.6
[M+Na-2H]- 192.01007 138.9
[M]+ 171.03485 133.5
[M]- 171.03595 133.5
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