CID 59141300

Sulfinylidenemethanethione

Structural Information

Molecular Formula

SMILES

C(=S)=S=O

InChI

InChI=1S/COS2/c2-4-1-3

InChIKey

MRGNQEVEBMBQRB-UHFFFAOYSA-N

Compound name

sulfinylmethanethione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 91.93906 Da
Monoisotopic Mass: 1.5
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]+	92.946336	109.0
[M+Na]+	114.92828	119.0
[M-H]-	90.931784	110.2
[M+NH4]+	109.97288	133.0
[M+K]+	130.90222	116.1
[M+H-H2O]+	74.936320	105.0
[M+HCOO]-	136.93726	123.5
[M+CH3COO]-	150.95291	160.1
[M+Na-2H]-	112.91373	111.9
[M]+	91.938511	110.3
[M]-	91.939609	110.3

Literature stripe

literature stripe

Patent stripe

patents stripe