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 187.4
[M+Na]+ 309.04568 200.2
[M-H]- 285.04918 194.3
[M+NH4]+ 304.09028 199.3
[M+K]+ 325.01962 191.2
[M+H-H2O]+ 269.05372 171.2
[M+HCOO]- 331.05466 197.2
[M+CH3COO]- 345.07031 194.2
[M+Na-2H]- 307.03113 185.1
[M]+ 286.05591 180.4
[M]- 286.05701 180.4
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