CID 122360811

107396-27-0

Structural Information

Molecular Formula
C28H31N
SMILES
CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C28H31N/c1-2-3-4-5-6-7-8-9-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(22-29)13-17-26/h10-21H,2-9H2,1H3
InChIKey
WTJUZTSSZCBZCI-UHFFFAOYSA-N
Compound name
4-[4-(4-nonylphenyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

381.24564 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.25292 201.1
[M+Na]+ 404.23486 208.9
[M-H]- 380.23836 207.2
[M+NH4]+ 399.27946 211.2
[M+K]+ 420.20880 198.1
[M+H-H2O]+ 364.24290 184.6
[M+HCOO]- 426.24384 218.2
[M+CH3COO]- 440.25949 231.7
[M+Na-2H]- 402.22031 200.9
[M]+ 381.24509 197.5
[M]- 381.24619 197.5
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