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]+ 319.16928 177.3
[M+Na]+ 341.15122 185.3
[M-H]- 317.15472 185.0
[M+NH4]+ 336.19582 190.6
[M+K]+ 357.12516 178.7
[M+H-H2O]+ 301.15926 168.7
[M+HCOO]- 363.16020 197.6
[M+CH3COO]- 377.17585 206.9
[M+Na-2H]- 339.13667 178.9
[M]+ 318.16145 177.6
[M]- 318.16255 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.