CID 22996911

4-di-(p-oxyphenyl-)n-hexan

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCC(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H22O2/c1-3-13-18(4-2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4,13H2,1-2H3
InChIKey
REYSHDMIUDQSOG-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxyphenyl)hexan-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
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 165.2
[M+Na]+ 293.151218 171.5
[M-H]- 269.154724 169.1
[M+NH4]+ 288.195823 180.4
[M+K]+ 309.125158 166.5
[M+H-H2O]+ 253.159260 158.4
[M+HCOO]- 315.160201 184.1
[M+CH3COO]- 329.175851 195.7
[M+Na-2H]- 291.136666 169.6
[M]+ 270.16145142 165.2
[M]- 270.16254858 165.2
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