CID 5357731

64984-09-4

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)N
InChI
InChI=1S/C8H9NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+
InChIKey
SHPHBMZZXHFXDF-VOTSOKGWSA-N
Compound name
(E)-2-phenylethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

623
Patents

183.0354 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 136.3
[M+Na]+ 206.024618 144.6
[M-H]- 182.028124 139.8
[M+NH4]+ 201.069223 156.1
[M+K]+ 221.998558 140.9
[M+H-H2O]+ 166.032660 130.7
[M+HCOO]- 228.033601 155.7
[M+CH3COO]- 242.049251 177.4
[M+Na-2H]- 204.010066 141.6
[M]+ 183.03485142 136.3
[M]- 183.03594858 136.3
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