CID 5274977

5-hexyl-2-phenoxyphenol

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKey
SXGQGHHNOWYMRT-UHFFFAOYSA-N
Compound name
5-hexyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

55
Patents

270.162 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.8
[M+Na]+ 293.15122 171.1
[M-H]- 269.15472 169.8
[M+NH4]+ 288.19582 180.6
[M+K]+ 309.12516 166.5
[M+H-H2O]+ 253.15926 157.1
[M+HCOO]- 315.16020 186.8
[M+CH3COO]- 329.17585 197.8
[M+Na-2H]- 291.13667 168.8
[M]+ 270.16145 167.1
[M]- 270.16255 167.1
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.