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]+ 184.059076 135.3
[M+Na]+ 206.041018 143.1
[M-H]- 182.044524 137.9
[M+NH4]+ 201.085623 155.6
[M+K]+ 222.014958 139.4
[M+H-H2O]+ 166.049060 128.6
[M+HCOO]- 228.050001 153.5
[M+CH3COO]- 242.065651 183.1
[M+Na-2H]- 204.026466 138.1
[M]+ 183.05125142 134.4
[M]- 183.05234858 134.4
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