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 135.3
[M+Na]+ 206.04102 143.1
[M-H]- 182.04452 137.9
[M+NH4]+ 201.08562 155.6
[M+K]+ 222.01496 139.4
[M+H-H2O]+ 166.04906 128.6
[M+HCOO]- 228.05000 153.5
[M+CH3COO]- 242.06565 183.1
[M+Na-2H]- 204.02647 138.1
[M]+ 183.05125 134.4
[M]- 183.05235 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