CID 73555345

Phenol, 2(or 4)-sec-docosyl-

Structural Information

Molecular Formula
C28H50O
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C28H50O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(2)27-22-24-28(29)25-23-27/h22-26,29H,3-21H2,1-2H3
InChIKey
GQNCKPHQJKXIBF-UHFFFAOYSA-N
Compound name
4-docosan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

402.38617 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.39345 214.1
[M+Na]+ 425.37539 213.5
[M-H]- 401.37889 212.9
[M+NH4]+ 420.41999 224.5
[M+K]+ 441.34933 206.9
[M+H-H2O]+ 385.38343 205.2
[M+HCOO]- 447.38437 229.9
[M+CH3COO]- 461.40002 229.4
[M+Na-2H]- 423.36084 209.5
[M]+ 402.38562 220.2
[M]- 402.38672 220.2
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.