CID 715358

70453-50-8

Structural Information

Molecular Formula
C8H8FNOS
SMILES
C1=CC(=CC=C1NC(=O)CS)F
InChI
InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKey
PDDDWWIWBOYWSB-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.03107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03835 136.4
[M+Na]+ 208.02029 147.2
[M+NH4]+ 203.06489 144.7
[M+K]+ 223.99423 139.3
[M-H]- 184.02379 137.7
[M+Na-2H]- 206.00574 142.3
[M]+ 185.03052 138.6
[M]- 185.03162 138.6
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

patents stripe