CID 92673

4-cyano-4'-dodecylbiphenyl

Structural Information

Molecular Formula
C25H33N
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3
InChIKey
YTXPODSLSFRTBJ-UHFFFAOYSA-N
Compound name
4-(4-dodecylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

128
Patents

347.2613 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.26858 189.2
[M+Na]+ 370.25052 195.9
[M-H]- 346.25402 193.0
[M+NH4]+ 365.29512 201.1
[M+K]+ 386.22446 187.3
[M+H-H2O]+ 330.25856 173.9
[M+HCOO]- 392.25950 206.4
[M+CH3COO]- 406.27515 226.7
[M+Na-2H]- 368.23597 189.6
[M]+ 347.26075 187.2
[M]- 347.26185 187.2
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