CID 73555347

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

Structural Information

Molecular Formula
C32H58O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C32H58O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(2)31-26-28-32(33)29-27-31/h26-30,33H,3-25H2,1-2H3
InChIKey
UBJVGCQWESUVTF-UHFFFAOYSA-N
Compound name
4-hexacosan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.44876 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.45604 231.5
[M+Na]+ 481.43798 229.1
[M-H]- 457.44148 229.3
[M+NH4]+ 476.48258 239.4
[M+K]+ 497.41192 221.5
[M+H-H2O]+ 441.44602 221.7
[M+HCOO]- 503.44696 245.8
[M+CH3COO]- 517.46261 241.0
[M+Na-2H]- 479.42343 224.7
[M]+ 458.44821 238.9
[M]- 458.44931 238.9
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.