CID 4519044

1,1-diphenyl-2,2-di(p-tolyl)-1,2-ethanediol

Structural Information

Molecular Formula
C28H26O2
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C28H26O2/c1-21-13-17-25(18-14-21)28(30,26-19-15-22(2)16-20-26)27(29,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29-30H,1-2H3
InChIKey
SKENUMRDZMMSNY-UHFFFAOYSA-N
Compound name
1,1-bis(4-methylphenyl)-2,2-diphenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

394.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20055 197.9
[M+Na]+ 417.18249 202.2
[M-H]- 393.18599 207.1
[M+NH4]+ 412.22709 206.4
[M+K]+ 433.15643 195.1
[M+H-H2O]+ 377.19053 187.7
[M+HCOO]- 439.19147 213.7
[M+CH3COO]- 453.20712 218.3
[M+Na-2H]- 415.16794 202.5
[M]+ 394.19272 194.9
[M]- 394.19382 194.9
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

patents stripe