CID 12627538

4,4/'-(1-methylpentylidene)bisphenol

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H22O2/c1-3-4-13-18(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
ZQTPHEAGPRFALE-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)hexan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2596
Patents

270.162 Da
Monoisotopic Mass

4.9
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

No literature data available for this compound.

Patent stripe

patents stripe