CID 4026825

1,1'-biphenyl, 4,4'-bis(ethylthio)-

Structural Information

Molecular Formula
C16H18S2
SMILES
CCSC1=CC=C(C=C1)C2=CC=C(C=C2)SCC
InChI
InChI=1S/C16H18S2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKey
JGXMNYLRFCYSJM-UHFFFAOYSA-N
Compound name
1-ethylsulfanyl-4-(4-ethylsulfanylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09228 158.5
[M+Na]+ 297.07422 173.5
[M+NH4]+ 292.11882 169.4
[M+K]+ 313.04816 160.1
[M-H]- 273.07772 165.0
[M+Na-2H]- 295.05967 167.6
[M]+ 274.08445 163.8
[M]- 274.08555 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe