CID 70970

N-phenylmethanesulfonamide

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CS(=O)(=O)NC1=CC=CC=C1
InChI
InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
LBTPIFQNEKOAIM-UHFFFAOYSA-N
Compound name
N-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

7146
Patents

171.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 132.0
[M+Na]+ 194.024618 140.4
[M-H]- 170.028124 136.2
[M+NH4]+ 189.069223 152.6
[M+K]+ 209.998558 137.9
[M+H-H2O]+ 154.032660 126.5
[M+HCOO]- 216.033601 152.2
[M+CH3COO]- 230.049251 176.6
[M+Na-2H]- 192.010066 138.9
[M]+ 171.03485142 133.5
[M]- 171.03594858 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