CID 11095174

150459-37-3

Structural Information

Molecular Formula

C₆H₈S₃

SMILES

CSC1=CSC=C1SC

InChI

InChI=1S/C6H8S3/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3

InChIKey

LCTMUKRQVFWKTD-UHFFFAOYSA-N

Compound name

3,4-bis(methylsulfanyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 175.97882 Da
Monoisotopic Mass: 2.6
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]+	176.98610	131.3
[M+Na]+	198.96804	141.7
[M-H]-	174.97154	135.1
[M+NH4]+	194.01264	154.1
[M+K]+	214.94198	136.8
[M+H-H2O]+	158.97608	126.7
[M+HCOO]-	220.97702	140.3
[M+CH3COO]-	234.99267	178.9
[M+Na-2H]-	196.95349	130.3
[M]+	175.97827	133.8
[M]-	175.97937	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe