CID 13153907

26272-83-3

Structural Information

Molecular Formula

C₁₀H₁₂O₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2COC2

InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3

InChIKey

UMFWNFVHKAJOSE-UHFFFAOYSA-N

Compound name

oxetan-3-yl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 669
Patents: 228.04562 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.05290	140.9
[M+Na]+	251.03484	148.1
[M+NH4]+	246.07944	144.7
[M+K]+	267.00878	144.1
[M-H]-	227.03834	141.3
[M+Na-2H]-	249.02029	144.6
[M]+	228.04507	141.3
[M]-	228.04617	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe