CID 80441

Tris(ethylthio)methane

Structural Information

Molecular Formula

C₇H₁₆S₃

SMILES

CCSC(SCC)SCC

InChI

InChI=1S/C7H16S3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3

InChIKey

HBBOGXAEKAVLGW-UHFFFAOYSA-N

Compound name

bis(ethylsulfanyl)methylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 196.04141 Da
Monoisotopic Mass: 3.5
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]+	197.04869	137.6
[M+Na]+	219.03063	143.6
[M-H]-	195.03413	136.8
[M+NH4]+	214.07523	157.1
[M+K]+	235.00457	138.9
[M+H-H2O]+	179.03867	131.9
[M+HCOO]-	241.03961	142.1
[M+CH3COO]-	255.05526	186.0
[M+Na-2H]-	217.01608	135.4
[M]+	196.04086	140.2
[M]-	196.04196	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe