CID 3035263

N-(4-fluorophenyl)ethanethioamide

Structural Information

Molecular Formula
C8H8FNS
SMILES
CC(=S)NC1=CC=C(C=C1)F
InChI
InChI=1S/C8H8FNS/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey
YRHITILCFONAAW-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

169.03615 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04343 133.1
[M+Na]+ 192.02537 144.4
[M+NH4]+ 187.06997 142.0
[M+K]+ 207.99931 136.0
[M-H]- 168.02887 135.0
[M+Na-2H]- 190.01082 139.4
[M]+ 169.03560 135.6
[M]- 169.03670 135.6
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