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

literature stripe

Patent stripe

patents stripe