CID 458318

4-biphenylyl sulfide

Structural Information

Molecular Formula
C24H18S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
ALSIRHSZEGFPQW-UHFFFAOYSA-N
Compound name
1-phenyl-4-(4-phenylphenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

338.1129 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12018 180.3
[M+Na]+ 361.10212 187.9
[M-H]- 337.10562 192.5
[M+NH4]+ 356.14672 193.5
[M+K]+ 377.07606 179.6
[M+H-H2O]+ 321.11016 170.4
[M+HCOO]- 383.11110 198.9
[M+CH3COO]- 397.12675 191.1
[M+Na-2H]- 359.08757 183.6
[M]+ 338.11235 180.1
[M]- 338.11345 180.1
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