CID 25141

10302-15-5

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CN1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C8H9NO2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
AXWKGBIMVDATLR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)aziridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

79
Patents

183.0354 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 136.9
[M+Na]+ 206.024618 147.4
[M-H]- 182.028124 143.5
[M+NH4]+ 201.069223 151.1
[M+K]+ 221.998558 144.0
[M+H-H2O]+ 166.032660 130.1
[M+HCOO]- 228.033601 155.3
[M+CH3COO]- 242.049251 179.6
[M+Na-2H]- 204.010066 143.0
[M]+ 183.03485142 140.9
[M]- 183.03594858 140.9
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