CID 5274979

5-octyl-2-phenoxyphenol

Structural Information

Molecular Formula
C20H26O2
SMILES
CCCCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
InChIKey
JOWYBLIPWAMIHM-UHFFFAOYSA-N
Compound name
5-octyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

53
Patents

298.19327 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 174.0
[M+Na]+ 321.18249 179.3
[M-H]- 297.18599 178.5
[M+NH4]+ 316.22709 188.6
[M+K]+ 337.15643 174.3
[M+H-H2O]+ 281.19053 165.8
[M+HCOO]- 343.19147 195.3
[M+CH3COO]- 357.20712 203.7
[M+Na-2H]- 319.16794 176.9
[M]+ 298.19272 176.9
[M]- 298.19382 176.9
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.