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 175.7
[M+Na]+ 341.09707 181.6
[M-H]- 317.10057 184.8
[M+NH4]+ 336.14167 189.8
[M+K]+ 357.07101 175.5
[M+H-H2O]+ 301.10511 167.2
[M+HCOO]- 363.10605 192.0
[M+CH3COO]- 377.12170 186.3
[M+Na-2H]- 339.08252 179.3
[M]+ 318.10730 176.2
[M]- 318.10840 176.2
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.