CID 23647315

14pp

Structural Information

Molecular Formula
C26H38O2
SMILES
CCCCCCCCCCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3
InChIKey
MLHTXTSULWDPMA-UHFFFAOYSA-N
Compound name
2-phenoxy-5-tetradecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.28717 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29445 201.1
[M+Na]+ 405.27639 203.7
[M-H]- 381.27989 204.3
[M+NH4]+ 400.32099 212.1
[M+K]+ 421.25033 197.2
[M+H-H2O]+ 365.28443 191.5
[M+HCOO]- 427.28537 220.2
[M+CH3COO]- 441.30102 221.4
[M+Na-2H]- 403.26184 200.6
[M]+ 382.28662 206.0
[M]- 382.28772 206.0
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

No patent data available for this compound.