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]+ 333.148516 179.5
[M+Na]+ 355.130458 183.3
[M-H]- 331.133964 187.0
[M+NH4]+ 350.175063 191.1
[M+K]+ 371.104398 178.9
[M+H-H2O]+ 315.138500 170.5
[M+HCOO]- 377.139441 198.0
[M+CH3COO]- 391.155091 206.2
[M+Na-2H]- 353.115906 183.7
[M]+ 332.14069142 178.4
[M]- 332.14178858 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

literature stripe

Patent stripe

patents stripe