CID 62773377

2-(4-methanesulfonylphenyl)-2-methyloxirane

Structural Information

Molecular Formula
C10H12O3S
SMILES
CC1(CO1)C2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C10H12O3S/c1-10(7-13-10)8-3-5-9(6-4-8)14(2,11)12/h3-6H,7H2,1-2H3
InChIKey
YIMSGCFJKTYQIM-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylsulfonylphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.057996 140.1
[M+Na]+ 235.039938 151.1
[M-H]- 211.043444 149.2
[M+NH4]+ 230.084543 155.4
[M+K]+ 251.013878 150.4
[M+H-H2O]+ 195.047980 134.9
[M+HCOO]- 257.048921 158.0
[M+CH3COO]- 271.064571 185.4
[M+Na-2H]- 233.025386 147.5
[M]+ 212.05017142 147.4
[M]- 212.05126858 147.4
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

No patent data available for this compound.