CID 4026825

4,4'-bis(ethylthio)biphenyl

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

4
Patents

274.085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.092276 157.9
[M+Na]+ 297.074218 166.2
[M-H]- 273.077724 164.4
[M+NH4]+ 292.118823 175.3
[M+K]+ 313.048158 159.5
[M+H-H2O]+ 257.082260 150.9
[M+HCOO]- 319.083201 171.0
[M+CH3COO]- 333.098851 169.7
[M+Na-2H]- 295.059666 158.5
[M]+ 274.08445142 161.5
[M]- 274.08554858 161.5
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