CID 3078708

122135-80-2

Structural Information

Molecular Formula
C22H22O2
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C3=CC=CC=C3)O)O
InChI
InChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3
InChIKey
DJENFIFQSSNDSL-UHFFFAOYSA-N
Compound name
1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.162 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16928 176.9
[M+Na]+ 341.15122 182.2
[M-H]- 317.15472 183.8
[M+NH4]+ 336.19582 189.3
[M+K]+ 357.12516 176.5
[M+H-H2O]+ 301.15926 168.6
[M+HCOO]- 363.16020 194.6
[M+CH3COO]- 377.17585 204.6
[M+Na-2H]- 339.13667 180.4
[M]+ 318.16145 174.9
[M]- 318.16255 174.9
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.