CID 3032709

Brn 5958403

Structural Information

Molecular Formula
C12H15NO2S2
SMILES
CCOC(=O)SC(=S)NCCC1=CC=CC=C1
InChI
InChI=1S/C12H15NO2S2/c1-2-15-12(14)17-11(16)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,16)
InChIKey
SLDFBVNKAIBTFX-UHFFFAOYSA-N
Compound name
ethyl 2-phenylethylcarbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0544 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06168 159.5
[M+Na]+ 292.04362 164.8
[M-H]- 268.04712 162.1
[M+NH4]+ 287.08822 176.0
[M+K]+ 308.01756 160.0
[M+H-H2O]+ 252.05166 152.5
[M+HCOO]- 314.05260 171.5
[M+CH3COO]- 328.06825 194.9
[M+Na-2H]- 290.02907 159.2
[M]+ 269.05385 162.3
[M]- 269.05495 162.3
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.