CID 20112590

2-[4-(trifluoromethoxy)phenyl]ethanethioamide

Structural Information

Molecular Formula
C9H8F3NOS
SMILES
C1=CC(=CC=C1CC(=S)N)OC(F)(F)F
InChI
InChI=1S/C9H8F3NOS/c10-9(11,12)14-7-3-1-6(2-4-7)5-8(13)15/h1-4H,5H2,(H2,13,15)
InChIKey
AZLIPSXWGYSBAI-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.02786 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03514 150.2
[M+Na]+ 258.01708 157.6
[M+NH4]+ 253.06168 155.8
[M+K]+ 273.99102 151.4
[M-H]- 234.02058 147.4
[M+Na-2H]- 256.00253 153.3
[M]+ 235.02731 150.5
[M]- 235.02841 150.5
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

No patent data available for this compound.