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

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 157.9
[M+Na]+ 297.07422 166.2
[M-H]- 273.07772 164.4
[M+NH4]+ 292.11882 175.3
[M+K]+ 313.04816 159.5
[M+H-H2O]+ 257.08226 150.9
[M+HCOO]- 319.08320 171.0
[M+CH3COO]- 333.09885 169.7
[M+Na-2H]- 295.05967 158.5
[M]+ 274.08445 161.5
[M]- 274.08555 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