CID 330304

66787-03-9

Structural Information

Molecular Formula

C₁₄H₁₀O₂S₄

SMILES

C1=CC=C(C=C1)OC(=S)SSC(=S)OC2=CC=CC=C2

InChI

InChI=1S/C14H10O2S4/c17-13(15-11-7-3-1-4-8-11)19-20-14(18)16-12-9-5-2-6-10-12/h1-10H

InChIKey

DGVTWRJWSFKBJP-UHFFFAOYSA-N

Compound name

O-phenyl (phenoxycarbothioyldisulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 337.95636 Da
Monoisotopic Mass: 5.6
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]+	338.96364	173.2
[M+Na]+	360.94558	180.0
[M-H]-	336.94908	176.8
[M+NH4]+	355.99018	186.2
[M+K]+	376.91952	170.0
[M+H-H2O]+	320.95362	166.3
[M+HCOO]-	382.95456	173.7
[M+CH3COO]-	396.97021	181.1
[M+Na-2H]-	358.93103	173.5
[M]+	337.95581	172.1
[M]-	337.95691	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe