CID 69317

1,2-bis(phenylthio)ethane

Structural Information

Molecular Formula
C14H14S2
SMILES
C1=CC=C(C=C1)SCCSC2=CC=CC=C2
InChI
InChI=1S/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
MHCVYAFXPIMYRD-UHFFFAOYSA-N
Compound name
2-phenylsulfanylethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

184
Patents

246.0537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.060976 150.1
[M+Na]+ 269.042918 157.8
[M-H]- 245.046424 156.3
[M+NH4]+ 264.087523 168.1
[M+K]+ 285.016858 151.5
[M+H-H2O]+ 229.050960 143.3
[M+HCOO]- 291.051901 164.0
[M+CH3COO]- 305.067551 162.1
[M+Na-2H]- 267.028366 152.9
[M]+ 246.05315142 152.2
[M]- 246.05424858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe