CID 105224

4-cyano-4'-undecylbiphenyl

Structural Information

Molecular Formula
C24H31N
SMILES
CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3
InChIKey
YIJBPYUXIFSTAP-UHFFFAOYSA-N
Compound name
4-(4-undecylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

333.24564 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.25292 185.3
[M+Na]+ 356.23486 192.5
[M-H]- 332.23836 189.3
[M+NH4]+ 351.27946 197.7
[M+K]+ 372.20880 184.1
[M+H-H2O]+ 316.24290 170.3
[M+HCOO]- 378.24384 202.9
[M+CH3COO]- 392.25949 224.1
[M+Na-2H]- 354.22031 186.3
[M]+ 333.24509 183.1
[M]- 333.24619 183.1
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