CID 3057355

Triphenylmethanol thioacetate

Structural Information

Molecular Formula
C21H18OS
SMILES
CC(=S)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18OS/c1-17(23)22-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKey
XWBBVOQHRYJBCT-UHFFFAOYSA-N
Compound name
O-trityl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10785 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11513 174.9
[M+Na]+ 341.09707 190.9
[M+NH4]+ 336.14167 184.8
[M+K]+ 357.07101 179.4
[M-H]- 317.10057 182.4
[M+Na-2H]- 339.08252 187.5
[M]+ 318.10730 180.2
[M]- 318.10840 180.2
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.