CID 20637

7-phenyltetradecane

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCC(CCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C20H34/c1-3-5-7-9-12-16-19(15-11-8-6-4-2)20-17-13-10-14-18-20/h10,13-14,17-19H,3-9,11-12,15-16H2,1-2H3
InChIKey
ALMICIFPGWBKNR-UHFFFAOYSA-N
Compound name
tetradecan-7-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

274.26605 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 175.2
[M+Na]+ 297.255268 177.6
[M-H]- 273.258774 176.7
[M+NH4]+ 292.299873 191.4
[M+K]+ 313.229208 173.4
[M+H-H2O]+ 257.263310 167.6
[M+HCOO]- 319.264251 195.0
[M+CH3COO]- 333.279901 205.5
[M+Na-2H]- 295.240716 176.1
[M]+ 274.26550142 178.4
[M]- 274.26659858 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

literature stripe

Patent stripe

patents stripe