CID 34123

Acetic acid, thio-, 2-(acetamidophenyl) ester

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]+ 210.058336 144.3
[M+Na]+ 232.040278 151.5
[M-H]- 208.043784 148.3
[M+NH4]+ 227.084883 163.5
[M+K]+ 248.014218 148.9
[M+H-H2O]+ 192.048320 138.2
[M+HCOO]- 254.049261 162.9
[M+CH3COO]- 268.064911 186.7
[M+Na-2H]- 230.025726 146.1
[M]+ 209.05051142 146.4
[M]- 209.05160858 146.4
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.