CID 11356304

2-[2-(benzenesulfonyl)ethyl]oxirane

Structural Information

Molecular Formula
C10H12O3S
SMILES
C1C(O1)CCS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H12O3S/c11-14(12,7-6-9-8-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKey
KIQYSHHJXJOUMS-UHFFFAOYSA-N
Compound name
2-[2-(benzenesulfonyl)ethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

212.05072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.057996 140.6
[M+Na]+ 235.039938 150.3
[M-H]- 211.043444 149.1
[M+NH4]+ 230.084543 153.8
[M+K]+ 251.013878 148.5
[M+H-H2O]+ 195.047980 134.0
[M+HCOO]- 257.048921 159.0
[M+CH3COO]- 271.064571 184.8
[M+Na-2H]- 233.025386 147.2
[M]+ 212.05017142 146.9
[M]- 212.05126858 146.9
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