CID 10778469

Dioxydiphenylhexan

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCCCC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H22O2/c1-2-3-4-5-18(14-6-10-16(19)11-7-14)15-8-12-17(20)13-9-15/h6-13,18-20H,2-5H2,1H3
InChIKey
WKGVDZYQWLBSQC-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)hexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1791
Patents

270.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 165.4
[M+Na]+ 293.151218 170.9
[M-H]- 269.154724 169.0
[M+NH4]+ 288.195823 180.3
[M+K]+ 309.125158 165.9
[M+H-H2O]+ 253.159260 158.1
[M+HCOO]- 315.160201 184.8
[M+CH3COO]- 329.175851 196.1
[M+Na-2H]- 291.136666 167.7
[M]+ 270.16145142 165.1
[M]- 270.16254858 165.1
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