CID 736048

1,2-ethanediol, 1,1,2-triphenyl-, 2-acetate, (2s)-

Structural Information

Molecular Formula
C22H20O3
SMILES
CC(=O)O[C@@H](C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
InChIKey
GXLZCXZLVDUDHP-NRFANRHFSA-N
Compound name
[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

332.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 179.5
[M+Na]+ 355.13046 183.3
[M-H]- 331.13396 187.0
[M+NH4]+ 350.17506 191.1
[M+K]+ 371.10440 178.9
[M+H-H2O]+ 315.13850 170.5
[M+HCOO]- 377.13944 198.0
[M+CH3COO]- 391.15509 206.2
[M+Na-2H]- 353.11591 183.7
[M]+ 332.14069 178.4
[M]- 332.14179 178.4
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.