CID 54210762

2,2'-dithenyl sulfide

Structural Information

Molecular Formula
C10H10S3
SMILES
C1=CSC(=C1)CSCC2=CC=CS2
InChI
InChI=1S/C10H10S3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2
InChIKey
PVTVLOMEQYIVFW-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylmethylsulfanylmethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

225.99446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00174 147.1
[M+Na]+ 248.98368 159.1
[M-H]- 224.98718 154.6
[M+NH4]+ 244.02828 170.1
[M+K]+ 264.95762 153.5
[M+H-H2O]+ 208.99172 142.8
[M+HCOO]- 270.99266 159.7
[M+CH3COO]- 285.00831 160.9
[M+Na-2H]- 246.96913 146.0
[M]+ 225.99391 151.4
[M]- 225.99501 151.4
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