CID 121608

Phenol, dioctyl-

Structural Information

Molecular Formula
C22H38O
SMILES
CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC
InChI
InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3
InChIKey
IXKVYSRDIVLASR-UHFFFAOYSA-N
Compound name
2,3-dioctylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1308
Patents

318.29227 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.299546 186.2
[M+Na]+ 341.281488 189.5
[M-H]- 317.284994 186.6
[M+NH4]+ 336.326093 200.6
[M+K]+ 357.255428 184.0
[M+H-H2O]+ 301.289530 178.7
[M+HCOO]- 363.290471 205.1
[M+CH3COO]- 377.306121 212.1
[M+Na-2H]- 339.266936 185.5
[M]+ 318.29172142 191.2
[M]- 318.29281858 191.2
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