CID 1119

Sulfur dioxide

Structural Information

Molecular Formula

SMILES

O=S=O

InChI

InChI=1S/O2S/c1-3-2

InChIKey

RAHZWNYVWXNFOC-UHFFFAOYSA-N

Compound name

sulfur dioxide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 6329
References: 185898
Patents: 63.9619 Da
Monoisotopic Mass: 0.1
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]+	64.969176	101.8
[M+Na]+	86.951118	112.1
[M-H]-	62.954624	103.4
[M+NH4]+	81.995723	127.1
[M+K]+	102.92506	112.1
[M+H-H2O]+	46.959160	98.2
[M+HCOO]-	108.96010	122.9
[M+CH3COO]-	122.97575	155.2
[M+Na-2H]-	84.936566	108.3
[M]+	63.961351	104.4
[M]-	63.962449	104.4

Literature stripe

literature stripe

Patent stripe

patents stripe