CID 14795335

4'-mercaptobiphenyl-4-carbonitrile

Structural Information

Molecular Formula
C13H9NS
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)S
InChI
InChI=1S/C13H9NS/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
InChIKey
ZZSHJNKMDIZSFY-UHFFFAOYSA-N
Compound name
4-(4-sulfanylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

211.04558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05286 142.2
[M+Na]+ 234.03480 157.3
[M+NH4]+ 229.07940 149.3
[M+K]+ 250.00874 144.2
[M-H]- 210.03830 140.7
[M+Na-2H]- 232.02025 149.9
[M]+ 211.04503 143.8
[M]- 211.04613 143.8
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