CID 24682

Sulfur trioxide

Structural Information

Molecular Formula

SMILES

O=S(=O)=O

InChI

InChI=1S/O3S/c1-4(2)3

InChIKey

AKEJUJNQAAGONA-UHFFFAOYSA-N

Compound name

sulfur trioxide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 85
References: 91812
Patents: 79.95682 Da
Monoisotopic Mass: -0.5
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]+	80.964096	104.5
[M+Na]+	102.94604	114.6
[M-H]-	78.949544	106.1
[M+NH4]+	97.990643	128.9
[M+K]+	118.91998	114.8
[M+H-H2O]+	62.954080	100.7
[M+HCOO]-	124.95502	124.9
[M+CH3COO]-	138.97067	157.1
[M+Na-2H]-	100.93149	109.9
[M]+	79.956271	107.2
[M]-	79.957369	107.2

Literature stripe

literature stripe

Patent stripe

patents stripe