CID 7130817

2-(4-fluorophenoxy)ethanethioamide

Structural Information

Molecular Formula
C8H8FNOS
SMILES
C1=CC(=CC=C1OCC(=S)N)F
InChI
InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
InChIKey
BXLASEYJOHOIMH-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

185.03107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03835 134.7
[M+Na]+ 208.02029 142.7
[M-H]- 184.02379 136.9
[M+NH4]+ 203.06489 154.5
[M+K]+ 223.99423 139.4
[M+H-H2O]+ 168.02833 127.9
[M+HCOO]- 230.02927 152.9
[M+CH3COO]- 244.04492 182.0
[M+Na-2H]- 206.00574 137.0
[M]+ 185.03052 134.0
[M]- 185.03162 134.0
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

No patent data available for this compound.