CID 70777

4-acetamidothiophenol

Structural Information

Molecular Formula
C8H9NOS
SMILES
CC(=O)NC1=CC=C(C=C1)S
InChI
InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
AYEQJLOHMLYKAV-UHFFFAOYSA-N
Compound name
N-(4-sulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1227
Patents

167.04048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 132.3
[M+Na]+ 190.02970 140.4
[M-H]- 166.03320 136.5
[M+NH4]+ 185.07430 153.3
[M+K]+ 206.00364 137.9
[M+H-H2O]+ 150.03774 126.6
[M+HCOO]- 212.03868 152.2
[M+CH3COO]- 226.05433 179.3
[M+Na-2H]- 188.01515 136.2
[M]+ 167.03993 133.6
[M]- 167.04103 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe