CID 34123

28045-65-0

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CC(=O)NC1=CC=CC=C1OC(=S)C
InChI
InChI=1S/C10H11NO2S/c1-7(12)11-9-5-3-4-6-10(9)13-8(2)14/h3-6H,1-2H3,(H,11,12)
InChIKey
OFYPTJKINUWOPA-UHFFFAOYSA-N
Compound name
O-(2-acetamidophenyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 145.4
[M+Na]+ 232.04028 156.0
[M+NH4]+ 227.08488 153.3
[M+K]+ 248.01422 148.8
[M-H]- 208.04378 147.3
[M+Na-2H]- 230.02573 150.7
[M]+ 209.05051 147.7
[M]- 209.05161 147.7
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.