CID 90481

4,4'-hexylidenebisphenol

Structural Information

Molecular Formula
C18H22O2
SMILES
C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H22O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h7-14,19-20H,1-6H2
InChIKey
AYADRHKBOQJWQG-UHFFFAOYSA-N
Compound name
4-[6-(4-hydroxyphenyl)hexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

270.162 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.1
[M+Na]+ 293.15122 170.9
[M-H]- 269.15472 168.6
[M+NH4]+ 288.19582 180.1
[M+K]+ 309.12516 165.3
[M+H-H2O]+ 253.15926 157.6
[M+HCOO]- 315.16020 185.5
[M+CH3COO]- 329.17585 195.2
[M+Na-2H]- 291.13667 168.6
[M]+ 270.16145 165.4
[M]- 270.16255 165.4
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