CID 92319

4-cyano-4'-pentylbiphenyl

Structural Information

Molecular Formula
C18H19N
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
InChIKey
HHPCNRKYVYWYAU-UHFFFAOYSA-N
Compound name
4-(4-pentylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

136
References

3823
Patents

249.15175 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 161.8
[M+Na]+ 272.14097 171.3
[M-H]- 248.14447 166.9
[M+NH4]+ 267.18557 177.3
[M+K]+ 288.11491 164.3
[M+H-H2O]+ 232.14901 147.9
[M+HCOO]- 294.14995 181.2
[M+CH3COO]- 308.16560 208.1
[M+Na-2H]- 270.12642 165.7
[M]+ 249.15120 157.7
[M]- 249.15230 157.7
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