CID 4140556

4,4'-(thiophene-2,5-diyl)dibenzonitrile

Structural Information

Molecular Formula
C18H10N2S
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(S2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C18H10N2S/c19-11-13-1-5-15(6-2-13)17-9-10-18(21-17)16-7-3-14(12-20)4-8-16/h1-10H
InChIKey
HKDJGRLOXRXWOF-UHFFFAOYSA-N
Compound name
4-[5-(4-cyanophenyl)thiophen-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

286.05646 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06374 179.8
[M+Na]+ 309.04568 190.8
[M+NH4]+ 304.09028 181.9
[M+K]+ 325.01962 178.2
[M-H]- 285.04918 173.3
[M+Na-2H]- 307.03113 182.1
[M]+ 286.05591 178.8
[M]- 286.05701 178.8
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