CID 12322399

N-phenylethene-1-sulfonamide

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C=CS(=O)(=O)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKey
YRLXBWHNSONKOH-UHFFFAOYSA-N
Compound name
N-phenylethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

183.0354 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 135.6
[M+Na]+ 206.02462 143.9
[M-H]- 182.02812 139.6
[M+NH4]+ 201.06922 155.6
[M+K]+ 221.99856 140.5
[M+H-H2O]+ 166.03266 130.0
[M+HCOO]- 228.03360 155.6
[M+CH3COO]- 242.04925 178.7
[M+Na-2H]- 204.01007 141.9
[M]+ 183.03485 136.7
[M]- 183.03595 136.7
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