CID 480025

S-ethyl 2,2-diphenylethanethioate

Structural Information

Molecular Formula
C16H16OS
SMILES
CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16OS/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
GZUNFTKYLPNICB-UHFFFAOYSA-N
Compound name
S-ethyl 2,2-diphenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0922 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09948 158.5
[M+Na]+ 279.08142 164.5
[M-H]- 255.08492 164.9
[M+NH4]+ 274.12602 175.6
[M+K]+ 295.05536 160.1
[M+H-H2O]+ 239.08946 151.2
[M+HCOO]- 301.09040 175.6
[M+CH3COO]- 315.10605 194.0
[M+Na-2H]- 277.06687 160.3
[M]+ 256.09165 160.0
[M]- 256.09275 160.0
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.