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

473
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

literature stripe

Patent stripe

patents stripe