CID 50962

Cresol, alpha,alpha'-(dimethylphenylene)di-

Structural Information

Molecular Formula
C22H22O2
SMILES
CC1=CC(=C(C=C1CC2=CC=CC=C2O)CC3=CC=CC=C3O)C
InChI
InChI=1S/C22H22O2/c1-15-11-16(2)20(13-18-8-4-6-10-22(18)24)14-19(15)12-17-7-3-5-9-21(17)23/h3-11,14,23-24H,12-13H2,1-2H3
InChIKey
FNDUTTYYBJIDBR-UHFFFAOYSA-N
Compound name
2-[[5-[(2-hydroxyphenyl)methyl]-2,4-dimethylphenyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.162 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.169276 177.3
[M+Na]+ 341.151218 185.3
[M-H]- 317.154724 185.0
[M+NH4]+ 336.195823 190.6
[M+K]+ 357.125158 178.7
[M+H-H2O]+ 301.159260 168.7
[M+HCOO]- 363.160201 197.6
[M+CH3COO]- 377.175851 206.9
[M+Na-2H]- 339.136666 178.9
[M]+ 318.16145142 177.6
[M]- 318.16254858 177.6
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

No patent data available for this compound.