CID 20639

5-phenyltetradecane

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCCCC(CCCC)C1=CC=CC=C1
InChI
InChI=1S/C20H34/c1-3-5-7-8-9-10-12-16-19(15-6-4-2)20-17-13-11-14-18-20/h11,13-14,17-19H,3-10,12,15-16H2,1-2H3
InChIKey
RAWFVRXBPRHWLJ-UHFFFAOYSA-N
Compound name
tetradecan-5-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.26605 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 175.2
[M+Na]+ 297.25527 177.6
[M-H]- 273.25877 176.7
[M+NH4]+ 292.29987 191.4
[M+K]+ 313.22921 173.4
[M+H-H2O]+ 257.26331 167.6
[M+HCOO]- 319.26425 195.0
[M+CH3COO]- 333.27990 205.5
[M+Na-2H]- 295.24072 176.1
[M]+ 274.26550 178.4
[M]- 274.26660 178.4
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

No patent data available for this compound.