CID 16792009

2-(4-methanesulfonylphenyl)oxirane

Structural Information

Molecular Formula
C9H10O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2CO2
InChI
InChI=1S/C9H10O3S/c1-13(10,11)8-4-2-7(3-5-8)9-6-12-9/h2-5,9H,6H2,1H3
InChIKey
MGRQDNBYYRNGDK-UHFFFAOYSA-N
Compound name
2-(4-methylsulfonylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

198.03506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04234 135.9
[M+Na]+ 221.02428 146.8
[M-H]- 197.02778 144.9
[M+NH4]+ 216.06888 149.9
[M+K]+ 236.99822 145.1
[M+H-H2O]+ 181.03232 129.7
[M+HCOO]- 243.03326 154.5
[M+CH3COO]- 257.04891 183.0
[M+Na-2H]- 219.00973 142.4
[M]+ 198.03451 142.3
[M]- 198.03561 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe