CID 7000031

108998-83-0

Structural Information

Molecular Formula
C20H18O2
SMILES
C1=CC=C(C=C1)[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1
InChIKey
GWVWUZJOQHWMFB-IBGZPJMESA-N
Compound name
(2S)-1,1,2-triphenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

553
Patents

290.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.0
[M+Na]+ 313.11990 172.4
[M-H]- 289.12340 174.4
[M+NH4]+ 308.16450 180.9
[M+K]+ 329.09384 166.9
[M+H-H2O]+ 273.12794 159.8
[M+HCOO]- 335.12888 186.4
[M+CH3COO]- 349.14453 196.4
[M+Na-2H]- 311.10535 174.0
[M]+ 290.13013 164.4
[M]- 290.13123 164.4
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.