CID 235490

N-benzylmethanesulfonamide

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CS(=O)(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C8H11NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
JPZKJABGOSPYDD-UHFFFAOYSA-N
Compound name
N-benzylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

481
Patents

185.05106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 136.5
[M+Na]+ 208.04028 144.5
[M-H]- 184.04378 140.5
[M+NH4]+ 203.08488 156.5
[M+K]+ 224.01422 141.7
[M+H-H2O]+ 168.04832 130.8
[M+HCOO]- 230.04926 156.3
[M+CH3COO]- 244.06491 179.6
[M+Na-2H]- 206.02573 142.9
[M]+ 185.05051 138.3
[M]- 185.05161 138.3
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