CID 3038366

P-fluorothiopropionanilide

Structural Information

Molecular Formula
C9H10FNS
SMILES
CCC(=S)NC1=CC=C(C=C1)F
InChI
InChI=1S/C9H10FNS/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
DBYXMRTYUXTSOH-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.0518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05908 137.5
[M+Na]+ 206.04102 148.6
[M+NH4]+ 201.08562 146.3
[M+K]+ 222.01496 139.9
[M-H]- 182.04452 139.3
[M+Na-2H]- 204.02647 143.6
[M]+ 183.05125 139.9
[M]- 183.05235 139.9
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