CID 104290

4-cyano-4'-nonylbiphenyl

Structural Information

Molecular Formula
C22H27N
SMILES
CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3
InChIKey
REDSMJNHKIHBTE-UHFFFAOYSA-N
Compound name
4-(4-nonylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

97
Patents

305.21436 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 177.6
[M+Na]+ 328.203578 185.5
[M-H]- 304.207084 181.9
[M+NH4]+ 323.248183 191.0
[M+K]+ 344.177518 177.6
[M+H-H2O]+ 288.211620 162.9
[M+HCOO]- 350.212561 195.7
[M+CH3COO]- 364.228211 218.7
[M+Na-2H]- 326.189026 179.5
[M]+ 305.21381142 174.7
[M]- 305.21490858 174.7
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