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

literature stripe

Patent stripe

patents stripe