CID 85922

4-nonyl-2,6-bis(1-phenylethyl)phenol

Structural Information

Molecular Formula
C31H40O
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)C(C)C2=CC=CC=C2)O)C(C)C3=CC=CC=C3
InChI
InChI=1S/C31H40O/c1-4-5-6-7-8-9-12-17-26-22-29(24(2)27-18-13-10-14-19-27)31(32)30(23-26)25(3)28-20-15-11-16-21-28/h10-11,13-16,18-25,32H,4-9,12,17H2,1-3H3
InChIKey
WOSYWGAMXWGRBI-UHFFFAOYSA-N
Compound name
4-nonyl-2,6-bis(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

428.30792 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.31520 214.4
[M+Na]+ 451.29714 216.3
[M-H]- 427.30064 220.7
[M+NH4]+ 446.34174 223.0
[M+K]+ 467.27108 208.8
[M+H-H2O]+ 411.30518 203.7
[M+HCOO]- 473.30612 230.7
[M+CH3COO]- 487.32177 232.8
[M+Na-2H]- 449.28259 210.5
[M]+ 428.30737 215.8
[M]- 428.30847 215.8
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

patents stripe