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]+ 213.05800 140.1
[M+Na]+ 235.03994 151.1
[M-H]- 211.04344 149.2
[M+NH4]+ 230.08454 155.4
[M+K]+ 251.01388 150.4
[M+H-H2O]+ 195.04798 134.9
[M+HCOO]- 257.04892 158.0
[M+CH3COO]- 271.06457 185.4
[M+Na-2H]- 233.02539 147.5
[M]+ 212.05017 147.4
[M]- 212.05127 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.