CID 4387159

4-biphenylyl phenyl sulfide

Structural Information

Molecular Formula
C18H14S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C18H14S/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14H
InChIKey
LLAVBEWIQQUQFR-UHFFFAOYSA-N
Compound name
1-phenyl-4-phenylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

262.08163 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08891 157.9
[M+Na]+ 285.07085 165.9
[M-H]- 261.07435 167.7
[M+NH4]+ 280.11545 174.7
[M+K]+ 301.04479 159.5
[M+H-H2O]+ 245.07889 149.8
[M+HCOO]- 307.07983 177.5
[M+CH3COO]- 321.09548 170.3
[M+Na-2H]- 283.05630 162.7
[M]+ 262.08108 158.3
[M]- 262.08218 158.3
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