CID 18938126

2-(4-fluorophenyl)ethanethioamide

Structural Information

Molecular Formula
C8H8FNS
SMILES
C1=CC(=CC=C1CC(=S)N)F
InChI
InChI=1S/C8H8FNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
NXWUFNHIHOKJBV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.03615 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04343 132.8
[M+Na]+ 192.02537 143.8
[M+NH4]+ 187.06997 141.6
[M+K]+ 207.99931 135.6
[M-H]- 168.02887 134.5
[M+Na-2H]- 190.01082 138.7
[M]+ 169.03560 135.1
[M]- 169.03670 135.1
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