CID 2724626

94089-02-8

Structural Information

Molecular Formula

C₆H₈S₂

SMILES

CC(C1=CC=CS1)S

InChI

InChI=1S/C6H8S2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3

InChIKey

NCCCTQRHFVSOMP-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylethanethiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 140
Patents: 144.00674 Da
Monoisotopic Mass: 2.1
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]+	145.01402	126.3
[M+Na]+	166.99596	135.6
[M-H]-	142.99946	130.6
[M+NH4]+	162.04056	150.5
[M+K]+	182.96990	133.1
[M+H-H2O]+	127.00400	121.7
[M+HCOO]-	189.00494	140.4
[M+CH3COO]-	203.02059	172.5
[M+Na-2H]-	164.98141	126.4
[M]+	144.00619	128.6
[M]-	144.00729	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe