CID 119996

Phenol, didecyl-

Structural Information

Molecular Formula
C26H46O
SMILES
CCCCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCCCC
InChI
InChI=1S/C26H46O/c1-3-5-7-9-11-13-15-17-19-24-21-22-26(27)25(23-24)20-18-16-14-12-10-8-6-4-2/h21-23,27H,3-20H2,1-2H3
InChIKey
IYHSWXFGYGKVLU-UHFFFAOYSA-N
Compound name
2,4-didecylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

374.35486 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.36214 204.0
[M+Na]+ 397.34408 205.5
[M-H]- 373.34758 203.5
[M+NH4]+ 392.38868 216.0
[M+K]+ 413.31802 199.0
[M+H-H2O]+ 357.35212 195.6
[M+HCOO]- 419.35306 221.5
[M+CH3COO]- 433.36871 224.0
[M+Na-2H]- 395.32953 201.1
[M]+ 374.35431 210.4
[M]- 374.35541 210.4
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